ethyl 6-tert-butyl-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[2-(4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[2-(2-keto-4-methyl-chromen-7-yl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H33NO6S MolecularWeight: 511.62972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(C)OC3=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(C)OC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

InChI=1S/C28H33NO6S/c1-7-33-27(32)24-20-10-8-17(28(4,5)6)13-22(20)36-26(24)29-25(31)16(3)34-18-9-11-19-15(2)12-23(30)35-21(19)14-18/h9,11-12,14,16-17H,7-8,10,13H2,1-6H3,(H,29,31)