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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCN2C(=O)CSC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCN2C(=O)CSC3=CC=CC=C32)C(=O)OCC

InChI

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