ethyl (2Z)-2-(2-azanylidenebenzo[e][1,3]benzothiazol-1-yl)imino-4-methyl-pentanoate

Systemtic Name: ethyl (2Z)-2-(2-azanylidenebenzo[e][1,3]benzothiazol-1-yl)imino-4-methyl-pentanoate Openeye Name: ethyl (2Z)-2-(2-iminobenzo[e][1,3]benzothiazol-1-yl)imino-4-methyl-pentanoate CAS Name: (2Z)-2-[(2-imino-1-benzo[e][1,3]benzothiazolyl)imino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl (2Z)-2-(2-iminobenzo[e][1,3]benzothiazol-1-yl)imino-4-methylpentanoate Traditional Name: (2Z)-2-(2-iminobenzo[e][1,3]benzothiazol-1-yl)imino-4-methyl-valeric acid ethyl ester Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NN1C2=C(C=CC3=CC=CC=C32)SC1=N)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S/c1-4-24-18(23)15(11-12(2)3)21-22-17-14-8-6-5-7-13(14)9-10-16(17)25-19(22)20/h5-10,12,20H,4,11H2,1-3H3/b20-19?,21-15-