(4-methylsulfanylphenyl)methyl 2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]acetic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate Traditional Name: 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetic acid [4-(methylthio)benzyl] ester Formula: C15H16ClNO4S3 MolecularWeight: 405.93984

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC1=CC=C(C=C1)SC)S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CN(CC(=O)OCC1=CC=C(C=C1)SC)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C15H16ClNO4S3/c1-17(24(19,20)15-8-7-13(16)23-15)9-14(18)21-10-11-3-5-12(22-2)6-4-11/h3-8H,9-10H2,1-2H3