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

Systemtic Name: ethyl 2-[2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]ethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]acetyl]amino]acetic acid ethyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-3-9-23-18(26)17-16(12-7-5-6-8-13(12)21-17)22-19(23)28-11-14(24)20-10-15(25)27-4-2/h3,5-8,21H,1,4,9-11H2,2H3,(H,20,24)