methyl 2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[(E)-3-(3-methyl-2-thienyl)prop-2-enoyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(E)-3-(3-methyl-2-thiophenyl)-1-oxoprop-2-enyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-[[(E)-3-(3-methyl-2-thienyl)acryloyl]amino]isoquinoline-4-carboxylic acid methyl ester Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

CC1=C(SC=C1)/C=C/C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C19H16N2O4S/c1-12-9-10-26-16(12)7-8-17(22)20-21-11-15(19(24)25-2)13-5-3-4-6-14(13)18(21)23/h3-11H,1-2H3,(H,20,22)/b8-7+