(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC(=S)N3CCCC3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC(=S)N3CCCC3)C

InChI

InChI=1S/C19H21NO4S2/c1-12-5-6-15-14(9-16(21)24-18(15)13(12)2)10-23-17(22)11-26-19(25)20-7-3-4-8-20/h5-6,9H,3-4,7-8,10-11H2,1-2H3