ethyl 2-[[4-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)oxyphenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)oxyphenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(2-anilino-1-methyl-2-oxo-ethoxy)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(1-anilino-1-oxopropan-2-yl)oxyphenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1-anilino-1-oxopropan-2-yl)oxybenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(2-anilino-2-keto-1-methyl-ethoxy)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)OC(C)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)OC(C)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5S/c1-3-33-27(32)23-21-11-7-8-12-22(21)35-26(23)29-25(31)18-13-15-20(16-14-18)34-17(2)24(30)28-19-9-5-4-6-10-19/h4-6,9-10,13-17H,3,7-8,11-12H2,1-2H3,(H,28,30)(H,29,31)