thiophen-2-ylmethyl (Z)-3-cyano-2-(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)prop-2-enoate

Systemtic Name: thiophen-2-ylmethyl (Z)-3-cyano-2-(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)prop-2-enoate Openeye Name: 2-thienylmethyl (Z)-3-cyano-2-(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)prop-2-enoate CAS Name: (Z)-3-cyano-2-(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-propenoic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl (Z)-3-cyano-2-(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)prop-2-enoate Traditional Name: (Z)-3-cyano-2-(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)acrylic acid 2-thenyl ester Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(N2)C(=CC#N)C(=O)OCC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(N2)/C(=C/C#N)/C(=O)OCC3=CC=CS3)C

InChI

InChI=1S/C18H15N3O2S/c1-11-8-12(2)20-17-15(11)9-16(21-17)14(5-6-19)18(22)23-10-13-4-3-7-24-13/h3-5,7-9H,10H2,1-2H3,(H,20,21)/b14-5-