methyl 5-[2-[(3-chloranyl-4-methoxy-phenyl)sulfonyl-methyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[(3-chloranyl-4-methoxy-phenyl)sulfonyl-methyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(3-chloro-4-methoxy-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(3-chloro-4-methoxy-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H19ClN2O6S2 MolecularWeight: 482.95766

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)OC)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CN(CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)OC)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C20H19ClN2O6S2/c1-23(31(26,27)14-5-6-16(28-2)15(21)10-14)11-19(24)22-13-4-7-17-12(8-13)9-18(30-17)20(25)29-3/h4-10H,11H2,1-3H3,(H,22,24)