ethyl 6-azanyl-7-(2-azanylethylsulfanyl)-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-azanyl-7-(2-azanylethylsulfanyl)-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-amino-7-(2-aminoethylsulfanyl)-1-cyclopropyl-4-oxo-quinoline-3-carboxylate CAS Name: 6-amino-7-(2-aminoethylthio)-1-cyclopropyl-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-7-(2-aminoethylsulfanyl)-1-cyclopropyl-4-oxoquinoline-3-carboxylate Traditional Name: 6-amino-7-(2-aminoethylthio)-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)SCCN)C3CC3

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)SCCN)C3CC3

InChI

InChI=1S/C17H21N3O3S/c1-2-23-17(22)12-9-20(10-3-4-10)14-8-15(24-6-5-18)13(19)7-11(14)16(12)21/h7-10H,2-6,18-19H2,1H3