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

Systemtic Name: [1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(2-ethyl-6-methyl-phenyl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(2-ethyl-6-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-ethyl-6-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-[(2-ethyl-6-methyl-phenyl)carbamoyl]propyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(CC)OC(=O)C2=CC3=C(S2)CCCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(CC)OC(=O)C2=CC3=C(S2)CCCC3)C

InChI

InChI=1S/C22H27NO3S/c1-4-15-11-8-9-14(3)20(15)23-21(24)17(5-2)26-22(25)19-13-16-10-6-7-12-18(16)27-19/h8-9,11,13,17H,4-7,10,12H2,1-3H3,(H,23,24)