ethyl 2-[2-[6-chloranyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl]oxyethanoylamino]-1,3-benzothiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[6-chloranyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl]oxyethanoylamino]-1,3-benzothiazole-5-carboxylate Openeye Name: ethyl 2-[[2-[6-chloro-4-oxo-2-(p-tolyl)chromen-3-yl]oxyacetyl]amino]-1,3-benzothiazole-5-carboxylate CAS Name: 2-[[2-[[6-chloro-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl]oxy]-1-oxoethyl]amino]-1,3-benzothiazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[6-chloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetyl]amino]-1,3-benzothiazole-5-carboxylate Traditional Name: 2-[[2-[6-chloro-4-keto-2-(p-tolyl)chromen-3-yl]oxyacetyl]amino]-1,3-benzothiazole-5-carboxylic acid ethyl ester Formula: C28H21ClN2O6S MolecularWeight: 548.99414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)SC(=N2)NC(=O)COC3=C(OC4=C(C3=O)C=C(C=C4)Cl)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SC(=N2)NC(=O)COC3=C(OC4=C(C3=O)C=C(C=C4)Cl)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H21ClN2O6S/c1-3-35-27(34)17-8-11-22-20(12-17)30-28(38-22)31-23(32)14-36-26-24(33)19-13-18(29)9-10-21(19)37-25(26)16-6-4-15(2)5-7-16/h4-13H,3,14H2,1-2H3,(H,30,31,32)