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

Systemtic Name: [5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl] 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: [5-methyl-3-(4-methylthiazol-2-yl)-4-oxo-chromen-7-yl] 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(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-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(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)CCNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O6S/c1-15-10-18(11-20-22(15)23(29)19(13-31-20)24-27-16(2)14-34-24)33-21(28)8-9-26-25(30)32-12-17-6-4-3-5-7-17/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,26,30)