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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C18H18ClNO4S2 MolecularWeight: 411.92282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CSC(=S)N3CCCC3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CSC(=S)N3CCCC3)Cl

InChI

InChI=1S/C18H18ClNO4S2/c1-11-6-15-13(8-14(11)19)12(7-16(21)24-15)9-23-17(22)10-26-18(25)20-4-2-3-5-20/h6-8H,2-5,9-10H2,1H3