2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-methoxy-4-propoxy-phenyl)ethenyl]sulfanylethanoic acid

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-methoxy-4-propoxy-phenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-methoxy-4-propoxy-phenyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-methoxy-4-propoxyphenyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-methoxy-4-propoxyphenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-methoxy-4-propoxy-phenyl)vinyl]thio]acetic acid Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C(C2=NC3=CC=CC=C3S2)SCC(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C(/C2=NC3=CC=CC=C3S2)\SCC(=O)O)OC

InChI

InChI=1S/C21H21NO4S2/c1-3-10-26-16-9-8-14(11-17(16)25-2)12-19(27-13-20(23)24)21-22-15-6-4-5-7-18(15)28-21/h4-9,11-12H,3,10,13H2,1-2H3,(H,23,24)/b19-12-