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

Systemtic Name: ethyl 4-[4-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanoyl]piperazine-1-carboxylate CAS Name: 4-[4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C22H27N5O5S/c1-3-32-22(30)26-11-9-25(10-12-26)17(28)5-4-8-27-20(29)19-18(24-21(27)33)15-13-14(31-2)6-7-16(15)23-19/h6-7,13,23H,3-5,8-12H2,1-2H3,(H,24,33)