ethyl 2-[(3-benzamido-3-phenyl-propanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-benzamido-3-phenyl-propanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-benzamido-3-phenyl-propanoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-benzamido-1-oxo-3-phenylpropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-benzamido-3-phenyl-propanoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4S/c1-2-33-27(32)24-20-15-9-10-16-22(20)34-26(24)29-23(30)17-21(18-11-5-3-6-12-18)28-25(31)19-13-7-4-8-14-19/h3-8,11-14,21H,2,9-10,15-17H2,1H3,(H,28,31)(H,29,30)