methyl 2-[4,6-dimethyl-2-(5-nitrothiophen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4,6-dimethyl-2-(5-nitrothiophen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4,6-dimethyl-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,6-dimethyl-2-[(5-nitro-2-thiophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4,6-dimethyl-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4,6-dimethyl-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])N2CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])N2CC(=O)OC)C

InChI

InChI=1S/C17H15N3O5S2/c1-9-6-10(2)15-12(7-9)27-17(19(15)8-14(21)25-3)18-16(22)11-4-5-13(26-11)20(23)24/h4-7H,8H2,1-3H3