ethyl 2-[4-methyl-2-(3-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-methyl-2-(3-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-methyl-2-[(3-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H17N3O5S/c1-3-27-16(23)11-21-17-12(2)6-4-9-15(17)28-19(21)20-18(24)13-7-5-8-14(10-13)22(25)26/h4-10H,3,11H2,1-2H3