ethyl (2S)-2-[(4-chlorophenyl)amino]-7-methyl-3-oxidanylidene-4H-1,4-benzothiazine-2-carboxylate

Systemtic Name: ethyl (2S)-2-[(4-chlorophenyl)amino]-7-methyl-3-oxidanylidene-4H-1,4-benzothiazine-2-carboxylate Openeye Name: ethyl (2S)-2-(4-chloroanilino)-7-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxylate CAS Name: (2S)-2-(4-chloroanilino)-7-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2S)-2-(4-chloroanilino)-7-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxylate Traditional Name: (2S)-2-(4-chloroanilino)-3-keto-7-methyl-4H-1,4-benzothiazine-2-carboxylic acid ethyl ester Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=O)NC2=C(S1)C=C(C=C2)C)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(C(=O)NC2=C(S1)C=C(C=C2)C)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2O3S/c1-3-24-17(23)18(21-13-7-5-12(19)6-8-13)16(22)20-14-9-4-11(2)10-15(14)25-18/h4-10,21H,3H2,1-2H3,(H,20,22)/t18-/m0/s1