ethyl 4,5-dimethyl-2-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-3-(3-oxo-1,4-benzothiazin-4-yl)propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 2-[3-(3-keto-1,4-benzothiazin-4-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C20H22N2O4S2/c1-4-26-20(25)18-12(2)13(3)28-19(18)21-16(23)9-10-22-14-7-5-6-8-15(14)27-11-17(22)24/h5-8H,4,9-11H2,1-3H3,(H,21,23)