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

Systemtic Name: ethyl 6-methyl-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]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(1-anilino-1-oxopropan-2-yl)oxyphenyl]-oxomethyl]amino]-6-methyl-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]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(2-anilino-2-keto-1-methyl-ethoxy)benzoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=C(C=C3)OC(C)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=C(C=C3)OC(C)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O5S/c1-4-34-28(33)24-22-15-10-17(2)16-23(22)36-27(24)30-26(32)19-11-13-21(14-12-19)35-18(3)25(31)29-20-8-6-5-7-9-20/h5-9,11-14,17-18H,4,10,15-16H2,1-3H3,(H,29,31)(H,30,32)