(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC(=S)N3CCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC(=S)N3CCCC3

InChI

InChI=1S/C18H19NO5S2/c1-22-13-4-5-14-12(8-16(20)24-15(14)9-13)10-23-17(21)11-26-18(25)19-6-2-3-7-19/h4-5,8-9H,2-3,6-7,10-11H2,1H3