(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CSC(=N3)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CSC(=N3)NCC4=CC=CC=C4)C

InChI

InChI=1S/C23H20N2O4S/c1-14-8-18-17(10-21(26)29-20(18)9-15(14)2)12-28-22(27)19-13-30-23(25-19)24-11-16-6-4-3-5-7-16/h3-10,13H,11-12H2,1-2H3,(H,24,25)