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

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C18H18ClNO3S/c1-11-13(19)6-4-7-14(11)20-17(21)10-23-18(22)16-9-12-5-2-3-8-15(12)24-16/h4,6-7,9H,2-3,5,8,10H2,1H3,(H,20,21)