[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N(CC=C)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N(CC=C)CC3=CC=C(S3)Cl

InChI

InChI=1S/C21H19ClN2O3S/c1-3-10-24(12-15-8-9-19(22)28-15)20(25)13-27-21(26)17-11-14(2)23-18-7-5-4-6-16(17)18/h3-9,11H,1,10,12-13H2,2H3