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

Systemtic Name: diethyl (2Z)-2-(2-azanylidenebenzo[e][1,3]benzothiazol-1-yl)imino-3-methyl-butanedioate Openeye Name: diethyl (2Z)-2-(2-iminobenzo[e][1,3]benzothiazol-1-yl)imino-3-methyl-butanedioate CAS Name: (2Z)-2-[(2-imino-1-benzo[e][1,3]benzothiazolyl)imino]-3-methylbutanedioic acid diethyl ester IUPAC Name: diethyl (2Z)-2-(2-iminobenzo[e][1,3]benzothiazol-1-yl)imino-3-methylbutanedioate Traditional Name: (2Z)-2-(2-iminobenzo[e][1,3]benzothiazol-1-yl)imino-3-methyl-succinic acid diethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-4-26-18(24)12(3)16(19(25)27-5-2)22-23-17-14-9-7-6-8-13(14)10-11-15(17)28-20(23)21/h6-12,21H,4-5H2,1-3H3/b21-20?,22-16-