methyl 2-[6-bromanyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-bromanyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-[(E)-3-(2-thienyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[(E)-3-(2-thienyl)acryloyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H13BrN2O3S2 MolecularWeight: 437.33072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C=CC3=CC=CS3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C17H13BrN2O3S2/c1-23-16(22)10-20-13-6-4-11(18)9-14(13)25-17(20)19-15(21)7-5-12-3-2-8-24-12/h2-9H,10H2,1H3/b7-5+,19-17?