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

Systemtic Name: methyl 4-[(4R)-5-[(3-methoxyphenyl)carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[(4R)-5-[(3-methoxyphenyl)carbamoyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoate CAS Name: 4-[(4R)-5-[(3-methoxyanilino)-oxomethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4R)-5-[(3-methoxyphenyl)carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Traditional Name: 4-[(4R)-5-[(3-methoxyphenyl)carbamoyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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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)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC=C(C=C2)C(=O)OC)C(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H21N3O4S/c1-12-17(19(25)23-15-5-4-6-16(11-15)27-2)18(24-21(29)22-12)13-7-9-14(10-8-13)20(26)28-3/h4-11,18H,1-3H3,(H,23,25)(H2,22,24,29)/t18-/m1/s1