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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-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 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C20H14ClNO4S MolecularWeight: 399.84746

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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)N=CS4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC4=C(C=C3)N=CS4)Cl

InChI

InChI=1S/C20H14ClNO4S/c1-2-11-5-17-14(8-15(11)21)13(7-19(23)26-17)9-25-20(24)12-3-4-16-18(6-12)27-10-22-16/h3-8,10H,2,9H2,1H3