tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-[3-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]propylamino]butanoate

Systemtic Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-[3-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]propylamino]butanoate Openeye Name: tert-butyl 2-(tert-butoxycarbonylamino)-4-oxo-4-[3-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]benzothiophen-2-yl]phenoxy]propylamino]butanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-4-[3-[4-[3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]propylamino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-[3-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]propylamino]butanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-keto-4-[3-[4-[3-[4-(2-pyrrolidinoethoxy)benzyl]benzothiophen-2-yl]phenoxy]propylamino]butyric acid tert-butyl ester Formula: C43H55N3O7S MolecularWeight: 757.9777

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC(=O)NCCCOC1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)CC4=CC=C(C=C4)OCCN5CCCC5)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(CC(=O)NCCCOC1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)CC4=CC=C(C=C4)OCCN5CCCC5)NC(=O)OC(C)(C)C

InChI

InChI=1S/C43H55N3O7S/c1-42(2,3)52-40(48)36(45-41(49)53-43(4,5)6)29-38(47)44-22-11-26-50-33-20-16-31(17-21-33)39-35(34-12-7-8-13-37(34)54-39)28-30-14-18-32(19-15-30)51-27-25-46-23-9-10-24-46/h7-8,12-21,36H,9-11,22-29H2,1-6H3,(H,44,47)(H,45,49)