7-[3-[1,1-bis(oxidanylidene)-1,2-thiazinan-4-yl]propoxy]-4-chloranyl-6-methoxy-quinoline-3-carbonitrile

Systemtic Name: 7-[3-[1,1-bis(oxidanylidene)-1,2-thiazinan-4-yl]propoxy]-4-chloranyl-6-methoxy-quinoline-3-carbonitrile Openeye Name: 4-chloro-7-[3-(1,1-dioxothiazinan-4-yl)propoxy]-6-methoxy-quinoline-3-carbonitrile CAS Name: 4-chloro-7-[3-(1,1-dioxo-4-thiazinanyl)propoxy]-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 4-chloro-7-[3-(1,1-dioxothiazinan-4-yl)propoxy]-6-methoxyquinoline-3-carbonitrile Traditional Name: 4-chloro-7-[3-(1,1-diketothiazinan-4-yl)propoxy]-6-methoxy-quinoline-3-carbonitrile Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)Cl)OCCCC3CCS(=O)(=O)NC3

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)Cl)OCCCC3CCS(=O)(=O)NC3

InChI

InChI=1S/C18H20ClN3O4S/c1-25-16-7-14-15(21-11-13(9-20)18(14)19)8-17(16)26-5-2-3-12-4-6-27(23,24)22-10-12/h7-8,11-12,22H,2-6,10H2,1H3