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

Systemtic Name: ethyl 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H18N2O4S2 MolecularWeight: 426.50862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S2/c1-3-27-21(24)18-17(14-9-5-4-6-10-14)13(2)28-20(18)22-19-15-11-7-8-12-16(15)29(25,26)23-19/h4-12H,3H2,1-2H3,(H,22,23)