prop-2-enyl (5R,6S)-4-methylidene-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: prop-2-enyl (5R,6S)-4-methylidene-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: allyl (5R,6S)-4-methylene-6-[(E)-styryl]-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (5R,6S)-4-methylidene-6-[(E)-2-phenylethenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-4-methylene-6-[(E)-styryl]-2-thioxo-hexahydropyrimidine-5-carboxylic acid allyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1C(NC(=S)NC1=C)C=CC2=CC=CC=C2

Isomeric SMILES

C=CCOC(=O)[C@@H]1[C@@H](NC(=S)NC1=C)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C17H18N2O2S/c1-3-11-21-16(20)15-12(2)18-17(22)19-14(15)10-9-13-7-5-4-6-8-13/h3-10,14-15H,1-2,11H2,(H2,18,19,22)/b10-9+/t14-,15-/m0/s1