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

Systemtic Name: methyl 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H14N2O4S2 MolecularWeight: 398.45546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H14N2O4S2/c1-25-19(22)16-14(12-7-3-2-4-8-12)11-26-18(16)20-17-13-9-5-6-10-15(13)27(23,24)21-17/h2-11H,1H3,(H,20,21)