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

Systemtic Name: methyl 2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-3-8-19-15(21)14-13(10-6-4-5-7-11(10)17-14)18-16(19)23-9-12(20)22-2/h3-7,17H,1,8-9H2,2H3