ethyl 4-[2-[(6-methyl-4-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(6-methyl-4-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(5-allyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-methyl-4-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(6-methyl-4-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-allyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CC=C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CC=C

InChI

InChI=1S/C19H21N3O4S/c1-4-6-15-12(3)20-19(22-17(15)24)27-11-16(23)21-14-9-7-13(8-10-14)18(25)26-5-2/h4,7-10H,1,5-6,11H2,2-3H3,(H,21,23)(H,20,22,24)