(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H16ClNO5S MolecularWeight: 429.87344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4)Cl

InChI

InChI=1S/C21H16ClNO5S/c1-2-11-6-17-14(8-15(11)22)13(7-20(25)28-17)9-27-21(26)12-3-4-18-16(5-12)23-19(24)10-29-18/h3-8H,2,9-10H2,1H3,(H,23,24)