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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NC2=C(C(=O)N1CC=C)NC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NC2=C(C(=O)N1CC=C)NC3=CC=CC=C32

InChI

InChI=1S/C19H21N3O3S/c1-5-11-22-16(23)15-14(12-9-7-8-10-13(12)20-15)21-18(22)26-19(3,4)17(24)25-6-2/h5,7-10,20H,1,6,11H2,2-4H3