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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)CCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)CCC(=O)OC

InChI

InChI=1S/C17H15N3O5S2/c1-10-3-4-11-13(9-10)27-17(19(11)8-7-15(21)25-2)18-16(22)12-5-6-14(26-12)20(23)24/h3-6,9H,7-8H2,1-2H3