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

Systemtic Name: ethyl 2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetate CAS Name: 2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]acetic acid ethyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c1-3-9-20-16(22)15-14(11-7-5-6-8-12(11)18-15)19-17(20)24-10-13(21)23-4-2/h3,5-8,18H,1,4,9-10H2,2H3