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

Systemtic Name: ethyl 2-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetate CAS Name: 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-3-methyl-5H-pyrimid[5,4-b]indol-2-yl)thio]acetic acid ethyl ester Formula: C15H15N3O3S MolecularWeight: 317.3629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1C)NC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1C)NC3=CC=CC=C32

InChI

InChI=1S/C15H15N3O3S/c1-3-21-11(19)8-22-15-17-12-9-6-4-5-7-10(9)16-13(12)14(20)18(15)2/h4-7,16H,3,8H2,1-2H3