methyl 3-[2-(1-carbamimidoyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(1-carbamimidoyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(1-carbamimidoyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(1-carbamimidoyl-4-phenyl-1-cyclohexa-2,5-dienyl)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(1-carbamimidoyl-4-phenylcyclohexa-2,5-dien-1-yl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(1-amidino-4-phenyl-cyclohexa-2,5-dien-1-yl)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)C1(C=CC(C=C1)C2=CC=CC=C2)C(=N)N

Isomeric SMILES

COC(=O)CCSCC(=O)C1(C=CC(C=C1)C2=CC=CC=C2)C(=N)N

InChI

InChI=1S/C19H22N2O3S/c1-24-17(23)9-12-25-13-16(22)19(18(20)21)10-7-15(8-11-19)14-5-3-2-4-6-14/h2-8,10-11,15H,9,12-13H2,1H3,(H3,20,21)