methyl (Z)-3-(1,3-benzodioxol-5-yl)-2-(thiocyanatomethyl)prop-2-enoate

Systemtic Name: methyl (Z)-3-(1,3-benzodioxol-5-yl)-2-(thiocyanatomethyl)prop-2-enoate Openeye Name: methyl (Z)-3-(1,3-benzodioxol-5-yl)-2-(thiocyanatomethyl)prop-2-enoate CAS Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(thiocyanatomethyl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(1,3-benzodioxol-5-yl)-2-(thiocyanatomethyl)prop-2-enoate Traditional Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(thiocyanatomethyl)acrylic acid methyl ester Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC2=C(C=C1)OCO2)CSC#N

Isomeric SMILES

COC(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/CSC#N

InChI

InChI=1S/C13H11NO4S/c1-16-13(15)10(6-19-7-14)4-9-2-3-11-12(5-9)18-8-17-11/h2-5H,6,8H2,1H3/b10-4+