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

Systemtic Name: methyl 3-[6-propan-2-yl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-isopropyl-2-[(E)-3-(2-thienyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-propan-2-yl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-isopropyl-2-[(E)-3-(2-thienyl)acryloyl]imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=CS3)S2)CCC(=O)OC

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC=CS3)S2)CCC(=O)OC

InChI

InChI=1S/C21H22N2O3S2/c1-14(2)15-6-8-17-18(13-15)28-21(23(17)11-10-20(25)26-3)22-19(24)9-7-16-5-4-12-27-16/h4-9,12-14H,10-11H2,1-3H3/b9-7+,22-21?