methyl (6S)-3,4-diethyl-6-[4-(pentanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-3,4-diethyl-6-[4-(pentanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3,4-diethyl-6-[4-(pentanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3,4-diethyl-6-[4-(1-oxopentylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3,4-diethyl-6-[4-(pentanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3,4-diethyl-2-thioxo-6-[4-(valerylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)CC)CC)C(=O)OC

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)[C@H]2C(=C(N(C(=S)N2)CC)CC)C(=O)OC

InChI

InChI=1S/C21H29N3O3S/c1-5-8-9-17(25)22-15-12-10-14(11-13-15)19-18(20(26)27-4)16(6-2)24(7-3)21(28)23-19/h10-13,19H,5-9H2,1-4H3,(H,22,25)(H,23,28)/t19-/m0/s1