(Z)-6-[6-methoxy-4-[(4-methoxycarbonylphenyl)carbamothioyloxy]-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoic acid

Systemtic Name: (Z)-6-[6-methoxy-4-[(4-methoxycarbonylphenyl)carbamothioyloxy]-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-[6-methoxy-4-[(4-methoxycarbonylphenyl)carbamothioyloxy]-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-[6-methoxy-4-[(4-methoxycarbonylanilino)-sulfanylidenemethoxy]-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-[6-methoxy-4-[(4-methoxycarbonylphenyl)carbamothioyloxy]-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid Traditional Name: (Z)-6-[4-[(4-carbomethoxyphenyl)thiocarbamoyloxy]-3-keto-6-methoxy-7-methyl-phthalan-5-yl]-4-methyl-hex-4-enoic acid Formula: C26H27NO8S MolecularWeight: 513.55948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)OC(=S)NC3=CC=C(C=C3)C(=O)OC)CC=C(C)CCC(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)OC(=S)NC3=CC=C(C=C3)C(=O)OC)C/C=C(/C)\CCC(=O)O)OC

InChI

InChI=1S/C26H27NO8S/c1-14(6-12-20(28)29)5-11-18-22(32-3)15(2)19-13-34-25(31)21(19)23(18)35-26(36)27-17-9-7-16(8-10-17)24(30)33-4/h5,7-10H,6,11-13H2,1-4H3,(H,27,36)(H,28,29)/b14-5-