methyl (2Z)-2-(2-azanylidenebenzo[e][1,3]benzothiazol-1-yl)imino-2-phenyl-ethanoate

Systemtic Name: methyl (2Z)-2-(2-azanylidenebenzo[e][1,3]benzothiazol-1-yl)imino-2-phenyl-ethanoate Openeye Name: methyl (2Z)-2-(2-iminobenzo[e][1,3]benzothiazol-1-yl)imino-2-phenyl-acetate CAS Name: (2Z)-2-[(2-imino-1-benzo[e][1,3]benzothiazolyl)imino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2Z)-2-(2-iminobenzo[e][1,3]benzothiazol-1-yl)imino-2-phenylacetate Traditional Name: (2Z)-2-(2-iminobenzo[e][1,3]benzothiazol-1-yl)imino-2-phenyl-acetic acid methyl ester Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=NN1C2=C(C=CC3=CC=CC=C32)SC1=N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)/C(=N\N1C2=C(C=CC3=CC=CC=C32)SC1=N)/C4=CC=CC=C4

InChI

InChI=1S/C20H15N3O2S/c1-25-19(24)17(14-8-3-2-4-9-14)22-23-18-15-10-6-5-7-13(15)11-12-16(18)26-20(23)21/h2-12,21H,1H3/b21-20?,22-17-