[6-(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] thiophene-2-carboxylate

Systemtic Name: [6-(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] thiophene-2-carboxylate Openeye Name: [6-(aziridin-1-yl)-5,8-dioxo-1-naphthyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [6-(1-aziridinyl)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (6-ethylenimino-5,8-diketo-1-naphthyl) ester Formula: C17H11NO4S MolecularWeight: 325.33854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=CC(=O)C3=C(C2=O)C=CC=C3OC(=O)C4=CC=CS4

Isomeric SMILES

C1CN1C2=CC(=O)C3=C(C2=O)C=CC=C3OC(=O)C4=CC=CS4

InChI

InChI=1S/C17H11NO4S/c19-12-9-11(18-6-7-18)16(20)10-3-1-4-13(15(10)12)22-17(21)14-5-2-8-23-14/h1-5,8-9H,6-7H2