ethyl 3-(2-methoxyethyl)-2-(2-nitrophenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methoxyethyl)-2-(2-nitrophenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methoxyethyl)-2-(2-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxyethyl)-2-[(2-nitrophenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methoxyethyl)-2-(2-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-methoxyethyl)-2-(2-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])S2)CCOC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])S2)CCOC

InChI

InChI=1S/C20H19N3O6S/c1-3-29-19(25)13-8-9-16-17(12-13)30-20(22(16)10-11-28-2)21-18(24)14-6-4-5-7-15(14)23(26)27/h4-9,12H,3,10-11H2,1-2H3