methyl 2-[6-acetamido-2-(3,5-dinitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-(3,5-dinitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(3,5-dinitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(3,5-dinitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(3,5-dinitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(3,5-dinitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H15N5O8S MolecularWeight: 473.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CC(=O)OC

InChI

InChI=1S/C19H15N5O8S/c1-10(25)20-12-3-4-15-16(7-12)33-19(22(15)9-17(26)32-2)21-18(27)11-5-13(23(28)29)8-14(6-11)24(30)31/h3-8H,9H2,1-2H3,(H,20,25)