(Z)-3-[(4-methoxyphenyl)amino]-2-[(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)carbonyl]prop-2-enenitrile

Systemtic Name: (Z)-3-[(4-methoxyphenyl)amino]-2-[(3-methylsulfanyl-6,7-dihydro-2-benzothiophen-1-yl)carbonyl]prop-2-enenitrile Openeye Name: (Z)-3-(4-methoxyanilino)-2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbonyl)prop-2-enenitrile CAS Name: (Z)-3-(4-methoxyanilino)-2-[[3-(methylthio)-6,7-dihydro-2-benzothiophen-1-yl]-oxomethyl]-2-propenenitrile IUPAC Name: (Z)-3-(4-methoxyanilino)-2-(3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbonyl)prop-2-enenitrile Traditional Name: (Z)-2-[3-(methylthio)-6,7-dihydroisobenzothiophene-1-carbonyl]-3-(p-anisidino)acrylonitrile Formula: C20H18N2O2S2 MolecularWeight: 382.49912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC=C(C#N)C(=O)C2=C3CCC=CC3=C(S2)SC

Isomeric SMILES

COC1=CC=C(C=C1)N/C=C(/C#N)\C(=O)C2=C3CCC=CC3=C(S2)SC

InChI

InChI=1S/C20H18N2O2S2/c1-24-15-9-7-14(8-10-15)22-12-13(11-21)18(23)19-16-5-3-4-6-17(16)20(25-2)26-19/h4,6-10,12,22H,3,5H2,1-2H3/b13-12-