3-[[4-ethylsulfanyl-3-(3-oxidanylpropyl)-1H-indol-5-yl]amino]-4-methyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[4-ethylsulfanyl-3-(3-oxidanylpropyl)-1H-indol-5-yl]amino]-4-methyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-ethylsulfanyl-3-(3-hydroxypropyl)-1H-indol-5-yl]amino]-4-methyl-cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-(ethylthio)-3-(3-hydroxypropyl)-1H-indol-5-yl]amino]-4-methylcyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-ethylsulfanyl-3-(3-hydroxypropyl)-1H-indol-5-yl]amino]-4-methylcyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-(ethylthio)-3-(3-hydroxypropyl)-1H-indol-5-yl]amino]-4-methyl-cyclobut-3-ene-1,2-quinone Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC2=C1C(=CN2)CCCO)NC3=C(C(=O)C3=O)C

Isomeric SMILES

CCSC1=C(C=CC2=C1C(=CN2)CCCO)NC3=C(C(=O)C3=O)C

InChI

InChI=1S/C18H20N2O3S/c1-3-24-18-13(20-15-10(2)16(22)17(15)23)7-6-12-14(18)11(9-19-12)5-4-8-21/h6-7,9,19-21H,3-5,8H2,1-2H3