phenanthridin-6-ylmethyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: phenanthridin-6-ylmethyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: phenanthridin-6-ylmethyl 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid phenanthridin-6-ylmethyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4S/c28-22(23-10-5-15-32-23)11-12-24(29)26-14-13-25(30)31-16-21-19-8-2-1-6-17(19)18-7-3-4-9-20(18)27-21/h1-10,15H,11-14,16H2,(H,26,29)