ethyl 4-[azanyl-(3-ethoxycarbonyl-5-methyl-thiophen-2-yl)amino]quinoline-3-carboxylate

Systemtic Name: ethyl 4-[azanyl-(3-ethoxycarbonyl-5-methyl-thiophen-2-yl)amino]quinoline-3-carboxylate Openeye Name: ethyl 4-[amino-(3-ethoxycarbonyl-5-methyl-2-thienyl)amino]quinoline-3-carboxylate CAS Name: 4-[amino-(3-ethoxycarbonyl-5-methyl-2-thiophenyl)amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[amino-(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]quinoline-3-carboxylate Traditional Name: 4-[amino-(3-carbethoxy-5-methyl-2-thienyl)amino]quinoline-3-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C)N(C2=C(C=NC3=CC=CC=C32)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C)N(C2=C(C=NC3=CC=CC=C32)C(=O)OCC)N

InChI

InChI=1S/C20H21N3O4S/c1-4-26-19(24)14-10-12(3)28-18(14)23(21)17-13-8-6-7-9-16(13)22-11-15(17)20(25)27-5-2/h6-11H,4-5,21H2,1-3H3