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

Systemtic Name: methyl 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C20H16N2O4S2/c1-12-16(13-8-4-3-5-9-13)17(20(23)26-2)19(27-12)21-18-14-10-6-7-11-15(14)28(24,25)22-18/h3-11H,1-2H3,(H,21,22)