[1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(4-chloro-2-methoxy-5-methyl-phenyl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-chloro-2-methoxy-5-methylanilino)-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-chloro-2-methoxy-5-methyl-phenyl)carbamoyl]propyl ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO4S/c1-4-16(20(24)23-15-9-12(2)14(22)11-17(15)26-3)27-21(25)19-10-13-7-5-6-8-18(13)28-19/h9-11,16H,4-8H2,1-3H3,(H,23,24)