2-butyl-2-[2-[(2-methylphenyl)amino]-3H-pyrrol-5-yl]-1,3-oxathiolan-5-one

Systemtic Name: 2-butyl-2-[2-[(2-methylphenyl)amino]-3H-pyrrol-5-yl]-1,3-oxathiolan-5-one Openeye Name: 2-butyl-2-[2-(2-methylanilino)-3H-pyrrol-5-yl]-1,3-oxathiolan-5-one CAS Name: 2-butyl-2-[2-(2-methylanilino)-3H-pyrrol-5-yl]-1,3-oxathiolan-5-one IUPAC Name: 2-butyl-2-[2-(2-methylanilino)-3H-pyrrol-5-yl]-1,3-oxathiolan-5-one Traditional Name: 2-butyl-2-[2-(o-toluidino)-3H-pyrrol-5-yl]-1,3-oxathiolan-5-one Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(OC(=O)CS1)C2=CCC(=N2)NC3=CC=CC=C3C

Isomeric SMILES

CCCCC1(OC(=O)CS1)C2=CCC(=N2)NC3=CC=CC=C3C

InChI

InChI=1S/C18H22N2O2S/c1-3-4-11-18(22-17(21)12-23-18)15-9-10-16(20-15)19-14-8-6-5-7-13(14)2/h5-9H,3-4,10-12H2,1-2H3,(H,19,20)