ethyl 2-[7-chloranyl-4-(cyanomethyl)-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[7-chloranyl-4-(cyanomethyl)-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoate Openeye Name: ethyl 2-[7-chloro-4-(cyanomethyl)-3-oxo-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[7-chloro-4-(cyanomethyl)-3-oxo-1,4-benzothiazin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-chloro-4-(cyanomethyl)-3-oxo-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[7-chloro-4-(cyanomethyl)-3-keto-1,4-benzothiazin-2-yl]acetic acid ethyl ester Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N(C2=C(S1)C=C(C=C2)Cl)CC#N

Isomeric SMILES

CCOC(=O)CC1C(=O)N(C2=C(S1)C=C(C=C2)Cl)CC#N

InChI

InChI=1S/C14H13ClN2O3S/c1-2-20-13(18)8-12-14(19)17(6-5-16)10-4-3-9(15)7-11(10)21-12/h3-4,7,12H,2,6,8H2,1H3