4-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]methyl]-6,7-dimethyl-coumarin Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSCC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSCC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C23H25NO3S/c1-13-7-20-17(10-23(26)27-22(20)8-14(13)2)11-28-12-21(25)19-9-15(3)24(16(19)4)18-5-6-18/h7-10,18H,5-6,11-12H2,1-4H3