S-(1,3-benzothiazol-2-yl) (2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(triphenylmethyl)oxyimino-ethanethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) (2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(triphenylmethyl)oxyimino-ethanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) (2E)-2-(2-aminothiazol-4-yl)-2-trityloxyimino-ethanethioate CAS Name: (2E)-2-(2-amino-4-thiazolyl)-2-(triphenylmethyl)oxyiminoethanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoethanethioate Traditional Name: (2E)-2-(2-aminothiazol-4-yl)-2-trityloximino-ethanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C31H22N4O2S3 MolecularWeight: 578.72698

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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(C4=CSC(=N4)N)C(=O)SC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O/N=C(\C4=CSC(=N4)N)/C(=O)SC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C31H22N4O2S3/c32-29-33-25(20-38-29)27(28(36)40-30-34-24-18-10-11-19-26(24)39-30)35-37-31(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20H,(H2,32,33)/b35-27+