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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)C2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)C2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C20H22N2O4S2/c1-5-26-20(25)15-10(2)12(4)27-19(15)22-17(23)11(3)16-18(24)21-13-8-6-7-9-14(13)28-16/h6-9,11,16H,5H2,1-4H3,(H,21,24)(H,22,23)