[2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-carbamoylanilino)-2-oxo-ethyl] (5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(2-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-carbamoylanilino)-2-oxoethyl] (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(2-carbamoylanilino)-2-keto-ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C20H22N2O4S/c1-2-12-7-8-16-13(9-12)10-17(27-16)20(25)26-11-18(23)22-15-6-4-3-5-14(15)19(21)24/h3-6,10,12H,2,7-9,11H2,1H3,(H2,21,24)(H,22,23)/t12-/m0/s1