ethyl 7-(4-chlorophenyl)sulfanyl-3-propan-2-ylsulfonyl-thieno[3,2-b]pyridine-6-carboxylate

Systemtic Name: ethyl 7-(4-chlorophenyl)sulfanyl-3-propan-2-ylsulfonyl-thieno[3,2-b]pyridine-6-carboxylate Openeye Name: ethyl 7-(4-chlorophenyl)sulfanyl-3-isopropylsulfonyl-thieno[3,2-b]pyridine-6-carboxylate CAS Name: 7-[(4-chlorophenyl)thio]-3-propan-2-ylsulfonyl-6-thieno[3,2-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-chlorophenyl)sulfanyl-3-propan-2-ylsulfonylthieno[3,2-b]pyridine-6-carboxylate Traditional Name: 7-[(4-chlorophenyl)thio]-3-isopropylsulfonyl-thieno[3,2-b]pyridine-6-carboxylic acid ethyl ester Formula: C19H18ClNO4S3 MolecularWeight: 455.99852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=CSC2=C1SC3=CC=C(C=C3)Cl)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=CSC2=C1SC3=CC=C(C=C3)Cl)S(=O)(=O)C(C)C

InChI

InChI=1S/C19H18ClNO4S3/c1-4-25-19(22)14-9-21-16-15(28(23,24)11(2)3)10-26-18(16)17(14)27-13-7-5-12(20)6-8-13/h5-11H,4H2,1-3H3