methyl (3S)-3-[2-(9-oxidanylideneacridin-10-yl)ethanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl (3S)-3-[2-(9-oxidanylideneacridin-10-yl)ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl (3S)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]-3-(2-thienyl)propanoate CAS Name: (3S)-3-[[1-oxo-2-(9-oxo-10-acridinyl)ethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: (3S)-3-[[2-(9-ketoacridin-10-yl)acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CS1)NC(=O)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42

InChI

InChI=1S/C23H20N2O4S/c1-29-22(27)13-17(20-11-6-12-30-20)24-21(26)14-25-18-9-4-2-7-15(18)23(28)16-8-3-5-10-19(16)25/h2-12,17H,13-14H2,1H3,(H,24,26)/t17-/m0/s1