[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 1-amino-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-9,10-dioxo-2-anthracenecarboxylic acid [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 1-amino-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-9,10-diketo-anthracene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C23H18N2O5S MolecularWeight: 434.46442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CS1)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C23H18N2O5S/c1-12(22(28)25-11-13-5-4-10-31-13)30-23(29)17-9-8-16-18(19(17)24)21(27)15-7-3-2-6-14(15)20(16)26/h2-10,12H,11,24H2,1H3,(H,25,28)/t12-/m0/s1