phenanthridin-6-ylmethyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: phenanthridin-6-ylmethyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: phenanthridin-6-ylmethyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid phenanthridin-6-ylmethyl ester Formula: C23H19NO3S MolecularWeight: 389.46686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C23H19NO3S/c1-15-10-12-22(28-15)21(25)11-13-23(26)27-14-20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)24-20/h2-10,12H,11,13-14H2,1H3