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

Systemtic Name: methyl 5-[2-[(3-chloranyl-4-ethoxy-phenyl)sulfonyl-methyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H21ClN2O6S2 MolecularWeight: 496.98424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C21H21ClN2O6S2/c1-4-30-17-7-6-15(11-16(17)22)32(27,28)24(2)12-20(25)23-14-5-8-18-13(9-14)10-19(31-18)21(26)29-3/h5-11H,4,12H2,1-3H3,(H,23,25)