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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (E)-3-(3-methylthiophen-2-yl)prop-2-enoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(3-methyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(3-methyl-2-thiophenyl)-2-propenoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(3-methylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-methyl-2-thienyl)acrylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=C(SC=C1)/C=C/C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H13N3O3S/c1-11-8-9-23-14(11)6-7-15(20)22-10-19-16(21)12-4-2-3-5-13(12)17-18-19/h2-9H,10H2,1H3/b7-6+