[5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [5-methyl-3-(4-methylthiazol-2-yl)-4-oxo-chromen-7-yl] 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [5-methyl-3-(4-methyl-2-thiazolyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [4-keto-5-methyl-3-(4-methylthiazol-2-yl)chromen-7-yl] ester Formula: C31H26N2O6S MolecularWeight: 554.61294

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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)NC(=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)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H26N2O6S/c1-19-13-23(15-26-27(19)28(34)24(17-37-26)29-32-20(2)18-40-29)39-30(35)25(14-21-9-5-3-6-10-21)33-31(36)38-16-22-11-7-4-8-12-22/h3-13,15,17-18,25H,14,16H2,1-2H3,(H,33,36)