[2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: [2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: [2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-oxo-ethyl] 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid [2-[(5-chloro-2-thiophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid [2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-keto-ethyl] ester Formula: C20H25ClN2O5S2 MolecularWeight: 473.0059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)N(C)CC2=CC=C(S2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OCC(=O)N(C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C20H25ClN2O5S2/c1-13(2)19(22-30(26,27)16-8-5-14(3)6-9-16)20(25)28-12-18(24)23(4)11-15-7-10-17(21)29-15/h5-10,13,19,22H,11-12H2,1-4H3