2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(6-methoxy-4-oxidanylidene-chromen-3-yl)ethenyl]sulfanylethanoic acid

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(6-methoxy-4-oxidanylidene-chromen-3-yl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(6-methoxy-4-oxo-chromen-3-yl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(6-methoxy-4-oxo-1-benzopyran-3-yl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(6-methoxy-4-oxochromen-3-yl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-keto-6-methoxy-chromen-3-yl)vinyl]thio]acetic acid Formula: C21H15NO5S2 MolecularWeight: 425.4775

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC=C(C2=O)C=C(C3=NC4=CC=CC=C4S3)SCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)OC=C(C2=O)/C=C(/C3=NC4=CC=CC=C4S3)\SCC(=O)O

InChI

InChI=1S/C21H15NO5S2/c1-26-13-6-7-16-14(9-13)20(25)12(10-27-16)8-18(28-11-19(23)24)21-22-15-4-2-3-5-17(15)29-21/h2-10H,11H2,1H3,(H,23,24)/b18-8-