[1-[(3-methoxyphenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(3-methoxyphenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(3-methoxyphenyl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(3-methoxyanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3-methoxyanilino)-1-oxobutan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-[(3-methoxyphenyl)carbamoyl]propyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S/c1-3-16(19(22)21-14-8-6-9-15(12-14)24-2)25-20(23)18-11-13-7-4-5-10-17(13)26-18/h6,8-9,11-12,16H,3-5,7,10H2,1-2H3,(H,21,22)