propan-2-yl (6S)-6-[4-(butanoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl (6S)-6-[4-(butanoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl (6S)-6-[4-(butanoylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-4-methyl-6-[4-(1-oxobutylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6S)-6-[4-(butanoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-butyramidophenyl)-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-6-8-17(25)22-16-11-9-15(10-12-16)19-18(20(26)27-13(3)4)14(5)24(7-2)21(28)23-19/h9-13,19H,6-8H2,1-5H3,(H,22,25)(H,23,28)/t19-/m0/s1