[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl] ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O4S2/c1-13-7-9-17(27-13)15(23)8-10-20(25)26-12-19(24)22(2)11-18-21-14-5-3-4-6-16(14)28-18/h3-7,9H,8,10-12H2,1-2H3