6,7-dimethyl-4-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]chromen-2-one Traditional Name: 4-[[(2-keto-2-pyrrolidino-ethyl)thio]methyl]-6,7-dimethyl-coumarin Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC(=O)N3CCCC3)C

InChI

InChI=1S/C18H21NO3S/c1-12-7-15-14(9-18(21)22-16(15)8-13(12)2)10-23-11-17(20)19-5-3-4-6-19/h7-9H,3-6,10-11H2,1-2H3