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

Systemtic Name: methanethioyl 3-[[6-cyclopentyl-7-methyl-4-(methylamino)-3-oxidanylidene-1H-2-benzofuran-5-yl]methyl]cyclopent-3-ene-1-carboxylate Openeye Name: methanethioyl 3-[[6-cyclopentyl-7-methyl-4-(methylamino)-3-oxo-1H-isobenzofuran-5-yl]methyl]cyclopent-3-ene-1-carboxylate CAS Name: 3-[[6-cyclopentyl-7-methyl-4-(methylamino)-3-oxo-1H-isobenzofuran-5-yl]methyl]-1-cyclopent-3-enecarboxylic acid methanethioyl ester IUPAC Name: methanethioyl 3-[[6-cyclopentyl-7-methyl-4-(methylamino)-3-oxo-1H-2-benzofuran-5-yl]methyl]cyclopent-3-ene-1-carboxylate Traditional Name: 3-[[6-cyclopentyl-3-keto-7-methyl-4-(methylamino)phthalan-5-yl]methyl]cyclopent-3-ene-1-carboxylic acid thioformyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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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)C4CCCC4

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)NC)CC3=CCC(C3)C(=O)OC=S)C4CCCC4

InChI

InChI=1S/C23H27NO4S/c1-13-18-11-27-23(26)20(18)21(24-2)17(19(13)15-5-3-4-6-15)10-14-7-8-16(9-14)22(25)28-12-29/h7,12,15-16,24H,3-6,8-11H2,1-2H3