[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-(6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-(6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetate CAS Name: 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetate Traditional Name: 2-(6-chloro-3-keto-4H-1,4-benzothiazin-2-yl)acetic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C20H18ClNO4S/c1-2-12-3-5-13(6-4-12)16(23)11-26-19(24)10-18-20(25)22-15-9-14(21)7-8-17(15)27-18/h3-9,18H,2,10-11H2,1H3,(H,22,25)