S-(2-aminophenyl) (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enethioate

Systemtic Name: S-(2-aminophenyl) (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enethioate Openeye Name: S-(2-aminophenyl) (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enethioate CAS Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-2-propenethioic acid S-(2-aminophenyl) ester IUPAC Name: S-(2-aminophenyl) (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enethioate Traditional Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enethioic acid S-(2-aminophenyl) ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)SC2=CC=CC=C2N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)SC2=CC=CC=C2N)OC

InChI

InChI=1S/C18H16N2O3S/c1-22-15-8-7-12(10-16(15)23-2)9-13(11-19)18(21)24-17-6-4-3-5-14(17)20/h3-10H,20H2,1-2H3/b13-9+