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

Systemtic Name: ethyl 3-oxidanylidene-4-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate Openeye Name: ethyl 4-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-3-oxo-butanoate CAS Name: 3-oxo-4-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-4-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate Traditional Name: 4-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-3-keto-butyric acid ethyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=C(C(=O)N1CC=C)NC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(C(=O)N1CC=C)NC3=CC=CC=C32

InChI

InChI=1S/C19H19N3O4S/c1-3-9-22-18(25)17-16(13-7-5-6-8-14(13)20-17)21-19(22)27-11-12(23)10-15(24)26-4-2/h3,5-8,20H,1,4,9-11H2,2H3