propan-2-yl (4S,5R)-4-(3-ethoxy-4-phenylmethoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: propan-2-yl (4S,5R)-4-(3-ethoxy-4-phenylmethoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: isopropyl (4S,5R)-4-(4-benzyloxy-3-ethoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3-ethoxy-4-phenylmethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S,5R)-4-(3-ethoxy-4-phenylmethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(4-benzoxy-3-ethoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid isopropyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)OC(C)C)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)OC(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O4S/c1-5-28-20-13-18(11-12-19(20)29-14-17-9-7-6-8-10-17)22-21(23(27)30-15(2)3)16(4)25-24(31)26-22/h6-13,15,21-22H,4-5,14H2,1-3H3,(H2,25,26,31)/t21-,22+/m0/s1