9,10-bis(oxidanylidene)-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)propan-2-yl]anthracene-2-carboxamide

Systemtic Name: 9,10-bis(oxidanylidene)-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)propan-2-yl]anthracene-2-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(thiazol-2-ylamino)ethyl]-9,10-dioxo-anthracene-2-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-(2-thiazolylamino)propan-2-yl]-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-9,10-dioxoanthracene-2-carboxamide Traditional Name: 9,10-diketo-N-[(1S)-2-keto-1-methylol-2-(thiazol-2-ylamino)ethyl]anthracene-2-carboxamide Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC(CO)C(=O)NC4=NC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N[C@@H](CO)C(=O)NC4=NC=CS4

InChI

InChI=1S/C21H15N3O5S/c25-10-16(20(29)24-21-22-7-8-30-21)23-19(28)11-5-6-14-15(9-11)18(27)13-4-2-1-3-12(13)17(14)26/h1-9,16,25H,10H2,(H,23,28)(H,22,24,29)/t16-/m0/s1