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

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

Systemtic Name:methyl 3-[2-(5-nitrothiophen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate
Openeye Name:methyl 3-[2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate
CAS Name:3-[2-[(5-nitro-2-thiophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester
IUPAC Name:methyl 3-[2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate
Traditional Name:3-[2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester
Formula: C16H13N3O5S2
MolecularWeight: 391.42152
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-]


Isomeric SMILES

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-]


InChI

InChI=1S/C16H13N3O5S2/c1-24-14(20)8-9-18-10-4-2-3-5-11(10)26-16(18)17-15(21)12-6-7-13(25-12)19(22)23/h2-7H,8-9H2,1H3


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