methyl 7-(3-chlorophenyl)sulfanyl-3-propan-2-ylsulfonyl-thieno[3,2-b]pyridine-6-carboxylate

Systemtic Name: methyl 7-(3-chlorophenyl)sulfanyl-3-propan-2-ylsulfonyl-thieno[3,2-b]pyridine-6-carboxylate Openeye Name: methyl 7-(3-chlorophenyl)sulfanyl-3-isopropylsulfonyl-thieno[3,2-b]pyridine-6-carboxylate CAS Name: 7-[(3-chlorophenyl)thio]-3-propan-2-ylsulfonyl-6-thieno[3,2-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 7-(3-chlorophenyl)sulfanyl-3-propan-2-ylsulfonylthieno[3,2-b]pyridine-6-carboxylate Traditional Name: 7-[(3-chlorophenyl)thio]-3-isopropylsulfonyl-thieno[3,2-b]pyridine-6-carboxylic acid methyl ester Formula: C18H16ClNO4S3 MolecularWeight: 441.97194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CSC2=C(C(=CN=C12)C(=O)OC)SC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)S(=O)(=O)C1=CSC2=C(C(=CN=C12)C(=O)OC)SC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H16ClNO4S3/c1-10(2)27(22,23)14-9-25-17-15(14)20-8-13(18(21)24-3)16(17)26-12-6-4-5-11(19)7-12/h4-10H,1-3H3