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

Systemtic Name: ethyl 3-methyl-2-(3-nitrophenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[(3-nitrophenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S/c1-3-26-17(23)12-7-8-14-15(10-12)27-18(20(14)2)19-16(22)11-5-4-6-13(9-11)21(24)25/h4-10H,3H2,1-2H3