[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(4-acetamidophenyl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(4-acetamidoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxobutan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-[(4-acetamidophenyl)carbamoyl]propyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C21H24N2O4S/c1-3-17(20(25)23-16-10-8-15(9-11-16)22-13(2)24)27-21(26)19-12-14-6-4-5-7-18(14)28-19/h8-12,17H,3-7H2,1-2H3,(H,22,24)(H,23,25)