4-[(E)-C-(1,3-benzothiazol-2-ylsulfanyloxymethyl)-N-(triphenylmethyl)oxy-carbonimidoyl]-1,3-thiazol-2-amine

Systemtic Name: 4-[(E)-C-(1,3-benzothiazol-2-ylsulfanyloxymethyl)-N-(triphenylmethyl)oxy-carbonimidoyl]-1,3-thiazol-2-amine Openeye Name: 4-[(E)-C-(1,3-benzothiazol-2-ylsulfanyloxymethyl)-N-trityloxy-carbonimidoyl]thiazol-2-amine CAS Name: 1,3-benzothiazole-2-sulfenic acid [(2E)-2-(2-amino-4-thiazolyl)-2-(triphenylmethyl)oxyiminoethyl] ester IUPAC Name: 4-[(E)-C-(1,3-benzothiazol-2-ylsulfanyloxymethyl)-N-trityloxycarbonimidoyl]-1,3-thiazol-2-amine Traditional Name: [4-[(E)-C-[(1,3-benzothiazol-2-ylthio)oxymethyl]-N-trityloxy-carbonimidoyl]thiazol-2-yl]amine Formula: C31H24N4O2S3 MolecularWeight: 580.74286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)ON=C(COSC4=NC5=CC=CC=C5S4)C6=CSC(=N6)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O/N=C(/COSC4=NC5=CC=CC=C5S4)\C6=CSC(=N6)N

InChI

InChI=1S/C31H24N4O2S3/c32-29-33-27(21-38-29)26(20-36-40-30-34-25-18-10-11-19-28(25)39-30)35-37-31(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-19,21H,20H2,(H2,32,33)/b35-26-