ethyl 3-azanyl-5-[(3-chlorophenyl)methylsulfanyl]-4-propan-2-ylsulfonyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-azanyl-5-[(3-chlorophenyl)methylsulfanyl]-4-propan-2-ylsulfonyl-thiophene-2-carboxylate Openeye Name: ethyl 3-amino-5-[(3-chlorophenyl)methylsulfanyl]-4-isopropylsulfonyl-thiophene-2-carboxylate CAS Name: 3-amino-5-[(3-chlorophenyl)methylthio]-4-propan-2-ylsulfonyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-5-[(3-chlorophenyl)methylsulfanyl]-4-propan-2-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-amino-5-[(3-chlorobenzyl)thio]-4-isopropylsulfonyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H20ClNO4S3 MolecularWeight: 433.993

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)SCC2=CC(=CC=C2)Cl)S(=O)(=O)C(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)SCC2=CC(=CC=C2)Cl)S(=O)(=O)C(C)C)N

InChI

InChI=1S/C17H20ClNO4S3/c1-4-23-16(20)14-13(19)15(26(21,22)10(2)3)17(25-14)24-9-11-6-5-7-12(18)8-11/h5-8,10H,4,9,19H2,1-3H3