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

Systemtic Name: [1-[(2-methoxycarbonylphenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(2-methoxycarbonylphenyl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(2-methoxycarbonylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-methoxycarbonylanilino)-1-oxobutan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-[(2-carbomethoxyphenyl)carbamoyl]propyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C21H23NO5S/c1-3-16(19(23)22-15-10-6-5-9-14(15)20(24)26-2)27-21(25)18-12-13-8-4-7-11-17(13)28-18/h5-6,9-10,12,16H,3-4,7-8,11H2,1-2H3,(H,22,23)