methyl 5-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

InChI

InChI=1S/C20H17N3O4S/c1-3-10-23-18(24)17-16(13-6-4-5-7-14(13)21-17)22-20(23)28-11-12-8-9-15(27-12)19(25)26-2/h3-9,21H,1,10-11H2,2H3