ethyl 1-[5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanoyl]piperidine-4-carboxylate CAS Name: 1-[5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-1-oxopentyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanoyl]piperidine-4-carboxylate Traditional Name: 1-[5-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)pentanoyl]isonipecotic acid ethyl ester Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C24H30N4O5S/c1-3-33-23(31)15-9-12-27(13-10-15)19(29)6-4-5-11-28-22(30)21-20(26-24(28)34)17-14-16(32-2)7-8-18(17)25-21/h7-8,14-15,25H,3-6,9-13H2,1-2H3,(H,26,34)