O1-[5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl] O4-(phenylmethyl) 2-(phenylmethyl)butanedioate

Systemtic Name: O1-[5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl] O4-(phenylmethyl) 2-(phenylmethyl)butanedioate Openeye Name: O4-benzyl O1-[5-methyl-3-(4-methylthiazol-2-yl)-4-oxo-chromen-7-yl] 2-benzylbutanedioate CAS Name: 2-(phenylmethyl)butanedioic acid O1-[5-methyl-3-(4-methyl-2-thiazolyl)-4-oxo-1-benzopyran-7-yl] ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-[5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl] 2-benzylbutanedioate Traditional Name: 2-benzylsuccinic acid O4-benzyl ester O1-[4-keto-5-methyl-3-(4-methylthiazol-2-yl)chromen-7-yl] ester Formula: C32H27NO6S MolecularWeight: 553.62488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)C(=CO2)C3=NC(=CS3)C)OC(=O)C(CC4=CC=CC=C4)CC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)C(=CO2)C3=NC(=CS3)C)OC(=O)C(CC4=CC=CC=C4)CC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C32H27NO6S/c1-20-13-25(16-27-29(20)30(35)26(18-37-27)31-33-21(2)19-40-31)39-32(36)24(14-22-9-5-3-6-10-22)15-28(34)38-17-23-11-7-4-8-12-23/h3-13,16,18-19,24H,14-15,17H2,1-2H3