(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: 3-[4-(methylthio)phenyl]-2-propenoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: 3-[4-(methylthio)phenyl]acrylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CSC1=CC=C(C=C1)C=CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H15N3O3S/c1-25-14-9-6-13(7-10-14)8-11-17(22)24-12-21-18(23)15-4-2-3-5-16(15)19-20-21/h2-11H,12H2,1H3