ethyl 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate

Systemtic Name: ethyl 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate Openeye Name: ethyl 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate CAS Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate Traditional Name: 2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]butyric acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC2=C(C(=O)N1CC)NC3=CC=CC=C32

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC2=C(C(=O)N1CC)NC3=CC=CC=C32

InChI

InChI=1S/C18H21N3O3S/c1-4-13(17(23)24-6-3)25-18-20-14-11-9-7-8-10-12(11)19-15(14)16(22)21(18)5-2/h7-10,13,19H,4-6H2,1-3H3