methyl 2-[2-[(4-methoxyphenyl)sulfonyl-methyl-amino]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(4-methoxyphenyl)sulfonyl-methyl-amino]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(4-methoxyphenyl)sulfonyl-methyl-amino]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(4-methoxyphenyl)sulfonyl-methyl-amino]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O6S2/c1-13-5-10-16-17(11-13)30-20(19(16)21(25)29-4)22-18(24)12-23(2)31(26,27)15-8-6-14(28-3)7-9-15/h6-9,13H,5,10-12H2,1-4H3,(H,22,24)