phenanthridin-6-ylmethyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: phenanthridin-6-ylmethyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: phenanthridin-6-ylmethyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid phenanthridin-6-ylmethyl ester Formula: C22H17NO3S MolecularWeight: 375.44028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H17NO3S/c24-20(21-10-5-13-27-21)11-12-22(25)26-14-19-17-8-2-1-6-15(17)16-7-3-4-9-18(16)23-19/h1-10,13H,11-12,14H2