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

Systemtic Name: methyl 2-[[3-(2-methoxyethyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]butanoate Openeye Name: methyl 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]butanoate CAS Name: 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]butanoate Traditional Name: 2-[[4-keto-3-(2-methoxyethyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]butyric acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NC2=C(C(=O)N1CCOC)NC3=CC=CC=C32

Isomeric SMILES

CCC(C(=O)OC)SC1=NC2=C(C(=O)N1CCOC)NC3=CC=CC=C32

InChI

InChI=1S/C18H21N3O4S/c1-4-13(17(23)25-3)26-18-20-14-11-7-5-6-8-12(11)19-15(14)16(22)21(18)9-10-24-2/h5-8,13,19H,4,9-10H2,1-3H3