cyclohexyl 2-cyano-3-[(4-methoxyphenyl)amino]-3-sulfanyl-prop-2-enoate

Systemtic Name: cyclohexyl 2-cyano-3-[(4-methoxyphenyl)amino]-3-sulfanyl-prop-2-enoate Openeye Name: cyclohexyl 2-cyano-3-(4-methoxyanilino)-3-sulfanyl-prop-2-enoate CAS Name: 2-cyano-3-mercapto-3-(4-methoxyanilino)-2-propenoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-cyano-3-(4-methoxyanilino)-3-sulfanylprop-2-enoate Traditional Name: 2-cyano-3-mercapto-3-(p-anisidino)acrylic acid cyclohexyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=C(C#N)C(=O)OC2CCCCC2)S

Isomeric SMILES

COC1=CC=C(C=C1)NC(=C(C#N)C(=O)OC2CCCCC2)S

InChI

InChI=1S/C17H20N2O3S/c1-21-13-9-7-12(8-10-13)19-16(23)15(11-18)17(20)22-14-5-3-2-4-6-14/h7-10,14,19,23H,2-6H2,1H3