(2,3,6-trimethylphenyl) 2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (2,3,6-trimethylphenyl) 2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoate Openeye Name: (2,3,6-trimethylphenyl) 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]acetic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate Traditional Name: 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetic acid (2,3,6-trimethylphenyl) ester Formula: C16H18ClNO4S2 MolecularWeight: 387.90142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CN(C)S(=O)(=O)C2=CC=C(S2)Cl)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CN(C)S(=O)(=O)C2=CC=C(S2)Cl)C

InChI

InChI=1S/C16H18ClNO4S2/c1-10-5-6-11(2)16(12(10)3)22-14(19)9-18(4)24(20,21)15-8-7-13(17)23-15/h5-8H,9H2,1-4H3