methyl 4-[(6R)-3-cyclopropyl-5-(diethylcarbamoyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate

Systemtic Name: methyl 4-[(6R)-3-cyclopropyl-5-(diethylcarbamoyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 4-[(6R)-3-cyclopropyl-5-(diethylcarbamoyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 4-[(6R)-3-cyclopropyl-5-[diethylamino(oxo)methyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6R)-3-cyclopropyl-5-(diethylcarbamoyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 4-[(6R)-3-cyclopropyl-5-(diethylcarbamoyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)C(=O)OC)C3CC3)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(N(C(=S)N[C@@H]1C2=CC=C(C=C2)C(=O)OC)C3CC3)C

InChI

InChI=1S/C21H27N3O3S/c1-5-23(6-2)19(25)17-13(3)24(16-11-12-16)21(28)22-18(17)14-7-9-15(10-8-14)20(26)27-4/h7-10,16,18H,5-6,11-12H2,1-4H3,(H,22,28)/t18-/m1/s1