diethyl 5-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H18N2O6S2/c1-4-25-17(21)13-10(3)14(18(22)26-5-2)27-16(13)19-15-11-8-6-7-9-12(11)28(23,24)20-15/h6-9H,4-5H2,1-3H3,(H,19,20)