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

Systemtic Name: [5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl] 2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [5-methyl-3-(4-methylthiazol-2-yl)-4-oxo-chromen-7-yl] 2-(benzyloxycarbonylamino)propanoate CAS Name: 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] 2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)propionic acid [4-keto-5-methyl-3-(4-methylthiazol-2-yl)chromen-7-yl] ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)C(=CO2)C3=NC(=CS3)C)OC(=O)C(C)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)C(=CO2)C3=NC(=CS3)C)OC(=O)C(C)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O6S/c1-14-9-18(10-20-21(14)22(28)19(12-31-20)23-26-15(2)13-34-23)33-24(29)16(3)27-25(30)32-11-17-7-5-4-6-8-17/h4-10,12-13,16H,11H2,1-3H3,(H,27,30)