ethyl 6-azanyl-1-cyclopropyl-8-methyl-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 6-azanyl-1-cyclopropyl-8-methyl-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylate Openeye Name: ethyl 6-amino-1-cyclopropyl-8-methyl-4-oxo-7-thiomorpholino-quinoline-3-carboxylate CAS Name: 6-amino-1-cyclopropyl-8-methyl-4-oxo-7-thiomorpholin-4-yl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-1-cyclopropyl-8-methyl-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylate Traditional Name: 6-amino-1-cyclopropyl-4-keto-8-methyl-7-thiomorpholino-quinoline-3-carboxylic acid ethyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)N)N3CCSCC3)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)N)N3CCSCC3)C)C4CC4

InChI

InChI=1S/C20H25N3O3S/c1-3-26-20(25)15-11-23(13-4-5-13)17-12(2)18(22-6-8-27-9-7-22)16(21)10-14(17)19(15)24/h10-11,13H,3-9,21H2,1-2H3