methanethioyl 3-[[6-methoxy-7-methyl-4-(methylamino)-3-oxidanylidene-1H-2-benzofuran-5-yl]methyl]cyclopent-3-ene-1-carboxylate

Systemtic Name: methanethioyl 3-[[6-methoxy-7-methyl-4-(methylamino)-3-oxidanylidene-1H-2-benzofuran-5-yl]methyl]cyclopent-3-ene-1-carboxylate Openeye Name: methanethioyl 3-[[6-methoxy-7-methyl-4-(methylamino)-3-oxo-1H-isobenzofuran-5-yl]methyl]cyclopent-3-ene-1-carboxylate CAS Name: 3-[[6-methoxy-7-methyl-4-(methylamino)-3-oxo-1H-isobenzofuran-5-yl]methyl]-1-cyclopent-3-enecarboxylic acid methanethioyl ester IUPAC Name: methanethioyl 3-[[6-methoxy-7-methyl-4-(methylamino)-3-oxo-1H-2-benzofuran-5-yl]methyl]cyclopent-3-ene-1-carboxylate Traditional Name: 3-[[3-keto-6-methoxy-7-methyl-4-(methylamino)phthalan-5-yl]methyl]cyclopent-3-ene-1-carboxylic acid thioformyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)NC)CC3=CCC(C3)C(=O)OC=S)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)NC)CC3=CCC(C3)C(=O)OC=S)OC

InChI

InChI=1S/C19H21NO5S/c1-10-14-8-24-19(22)15(14)16(20-2)13(17(10)23-3)7-11-4-5-12(6-11)18(21)25-9-26/h4,9,12,20H,5-8H2,1-3H3