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

Systemtic Name: [1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(3-chloro-2-methyl-phenyl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(3-chloro-2-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3-chloro-2-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-[(3-chloro-2-methyl-phenyl)carbamoyl]propyl ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO3S/c1-3-16(19(23)22-15-9-6-8-14(21)12(15)2)25-20(24)18-11-13-7-4-5-10-17(13)26-18/h6,8-9,11,16H,3-5,7,10H2,1-2H3,(H,22,23)