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

Systemtic Name: ethyl 7-(2-azanylethylsulfanyl)-1-cyclopropyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-(2-aminoethylsulfanyl)-1-cyclopropyl-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 7-(2-aminoethylthio)-1-cyclopropyl-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(2-aminoethylsulfanyl)-1-cyclopropyl-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 7-(2-aminoethylthio)-1-cyclopropyl-4-keto-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])SCCN)C3CC3

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])SCCN)C3CC3

InChI

InChI=1S/C17H19N3O5S/c1-2-25-17(22)12-9-19(10-3-4-10)13-8-15(26-6-5-18)14(20(23)24)7-11(13)16(12)21/h7-10H,2-6,18H2,1H3