methyl (4S)-4-(1,3-benzodioxol-5-yl)-6-methyl-3-propanoyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(1,3-benzodioxol-5-yl)-6-methyl-3-propanoyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(1,3-benzodioxol-5-yl)-6-methyl-3-propanoyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: (4S)-4-(1,3-benzodioxol-5-yl)-6-methyl-3-(1-oxopropyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(1,3-benzodioxol-5-yl)-6-methyl-3-propanoyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: (4S)-4-(1,3-benzodioxol-5-yl)-6-methyl-3-propionyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C(=C(NC1=S)C)C(=O)OC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(=O)N1[C@H](C(=C(NC1=S)C)C(=O)OC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N2O5S/c1-4-13(20)19-15(10-5-6-11-12(7-10)24-8-23-11)14(16(21)22-3)9(2)18-17(19)25/h5-7,15H,4,8H2,1-3H3,(H,18,25)/t15-/m0/s1