ethyl 2-[(4-oxidanylidene-4-phenacyloxy-butanoyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-oxidanylidene-4-phenacyloxy-butanoyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-oxo-4-phenacyloxy-butanoyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(1,4-dioxo-4-phenacyloxybutyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-oxo-4-phenacyloxybutanoyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-keto-4-phenacyloxy-butanoyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H29NO6S MolecularWeight: 519.60866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCC(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCC(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H29NO6S/c1-2-35-29(34)27-22-14-13-21(19-9-5-3-6-10-19)17-24(22)37-28(27)30-25(32)15-16-26(33)36-18-23(31)20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3,(H,30,32)