methyl 2-[5-nitro-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5-nitro-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5-nitro-2-[(E)-3-(2-thienyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5-nitro-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-nitro-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-nitro-2-[(E)-3-(2-thienyl)acryloyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C=CC3=CC=CS3

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C17H13N3O5S2/c1-25-16(22)10-19-13-9-11(20(23)24)4-6-14(13)27-17(19)18-15(21)7-5-12-3-2-8-26-12/h2-9H,10H2,1H3/b7-5+,18-17?