ethyl 4-ethyl-5-methyl-2-[2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoylamino]thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CC2C(=O)NC3=CC=CC=C3S2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H22N2O4S2/c1-4-12-11(3)27-19(17(12)20(25)26-5-2)22-16(23)10-15-18(24)21-13-8-6-7-9-14(13)28-15/h6-9,15H,4-5,10H2,1-3H3,(H,21,24)(H,22,23)/t15-/m0/s1