methyl 2-[[(4S,5R)-4-(2-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[(4S,5R)-4-(2-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[(4S,5R)-4-(2-ethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carbonyl]amino]benzoate CAS Name: 2-[[[(4S,5R)-4-(2-ethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinan-5-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(4S,5R)-4-(2-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carbonyl]amino]benzoate Traditional Name: 2-[[(5R,6S)-4-methylene-6-o-phenetyl-2-thioxo-hexahydropyrimidine-5-carbonyl]amino]benzoic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H23N3O4S/c1-4-29-17-12-8-6-10-15(17)19-18(13(2)23-22(30)25-19)20(26)24-16-11-7-5-9-14(16)21(27)28-3/h5-12,18-19H,2,4H2,1,3H3,(H,24,26)(H2,23,25,30)/t18-,19+/m0/s1