[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [2-[methyl(3-thienylmethyl)amino]-2-oxo-ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [2-[methyl(3-thiophenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [2-keto-2-[methyl(3-thenyl)amino]ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

InChI

InChI=1S/C21H20N2O3S/c1-23(11-14-8-9-27-13-14)20(24)12-26-21(25)17-10-19(15-6-7-15)22-18-5-3-2-4-16(17)18/h2-5,8-10,13,15H,6-7,11-12H2,1H3