methyl (E)-3-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate

Systemtic Name: methyl (E)-3-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate Openeye Name: methyl (E)-3-(benzothiophen-3-yl)-2-(tert-butoxycarbonylamino)but-2-enoate CAS Name: (E)-3-(1-benzothiophen-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate Traditional Name: (E)-3-(benzothiophen-3-yl)-2-(tert-butoxycarbonylamino)but-2-enoic acid methyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC)NC(=O)OC(C)(C)C)C1=CSC2=CC=CC=C21

Isomeric SMILES

C/C(=C(/C(=O)OC)\NC(=O)OC(C)(C)C)/C1=CSC2=CC=CC=C21

InChI

InChI=1S/C18H21NO4S/c1-11(13-10-24-14-9-7-6-8-12(13)14)15(16(20)22-5)19-17(21)23-18(2,3)4/h6-10H,1-5H3,(H,19,21)/b15-11+