ethyl 3-[N-[(3-chlorophenyl)carbamoyl]-S-methyl-sulfinimidoyl]-6,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 3-[N-[(3-chlorophenyl)carbamoyl]-S-methyl-sulfinimidoyl]-6,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: ethyl 3-[N-[(3-chlorophenyl)carbamoyl]-S-methyl-sulfinimidoyl]-6,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 3-[N-[(3-chloroanilino)-oxomethyl]-S-methylsulfinimidoyl]-6,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[N-[(3-chlorophenyl)carbamoyl]-S-methylsulfinimidoyl]-6,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 3-[N-[(3-chlorophenyl)carbamoyl]-S-methyl-sulfinimidoyl]-6,7-dihydroisobenzothiophene-1-carboxylic acid ethyl ester Formula: C19H19ClN2O3S2 MolecularWeight: 422.94876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCC=CC2=C(S1)S(=NC(=O)NC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C2CCC=CC2=C(S1)S(=NC(=O)NC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C19H19ClN2O3S2/c1-3-25-17(23)16-14-9-4-5-10-15(14)18(26-16)27(2)22-19(24)21-13-8-6-7-12(20)11-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,24)