4-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]methyl]-7-ethyl-coumarin Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC(=O)C3=C(N(C(=C3)C)C4CC4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC(=O)C3=C(N(C(=C3)C)C4CC4)C

InChI

InChI=1S/C23H25NO3S/c1-4-16-5-8-19-17(11-23(26)27-22(19)10-16)12-28-13-21(25)20-9-14(2)24(15(20)3)18-6-7-18/h5,8-11,18H,4,6-7,12-13H2,1-3H3