methyl 1-oxidanylidene-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]isoquinoline-4-carboxylate Openeye Name: methyl 1-oxo-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]isoquinoline-4-carboxylate CAS Name: 1-oxo-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]isoquinoline-4-carboxylate Traditional Name: 1-keto-2-[[(E)-3-(2-thienyl)acryloyl]amino]isoquinoline-4-carboxylic acid methyl ester Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C18H14N2O4S/c1-24-18(23)15-11-20(17(22)14-7-3-2-6-13(14)15)19-16(21)9-8-12-5-4-10-25-12/h2-11H,1H3,(H,19,21)/b9-8+