methyl 4-[(4R)-6-methyl-5-[(phenylmethyl)carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate

Systemtic Name: methyl 4-[(4R)-6-methyl-5-[(phenylmethyl)carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[(4R)-5-(benzylcarbamoyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoate CAS Name: 4-[(4R)-6-methyl-5-[oxo-[(phenylmethyl)amino]methyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4R)-5-(benzylcarbamoyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Traditional Name: 4-[(4R)-5-(benzylcarbamoyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(=O)OC)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC=C(C=C2)C(=O)OC)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-13-17(19(25)22-12-14-6-4-3-5-7-14)18(24-21(28)23-13)15-8-10-16(11-9-15)20(26)27-2/h3-11,18H,12H2,1-2H3,(H,22,25)(H2,23,24,28)/t18-/m1/s1