ethyl 2-[4-chloranyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-chloranyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-chloro-2-[(E)-3-(2-thienyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-chloro-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-chloro-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-chloro-2-[(E)-3-(2-thienyl)acryloyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H15ClN2O3S2 MolecularWeight: 406.9063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2Cl)SC1=NC(=O)C=CC3=CC=CS3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2Cl)SC1=NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C18H15ClN2O3S2/c1-2-24-16(23)11-21-17-13(19)6-3-7-14(17)26-18(21)20-15(22)9-8-12-5-4-10-25-12/h3-10H,2,11H2,1H3/b9-8+,20-18?