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

Systemtic Name: ethyl 2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate Openeye Name: ethyl 2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate CAS Name: 2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate Traditional Name: 2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]butyric acid ethyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-4-11-22-17(23)16-15(12-9-7-8-10-13(12)20-16)21-19(22)26-14(5-2)18(24)25-6-3/h4,7-10,14,20H,1,5-6,11H2,2-3H3