ethyl 4-[2-(1-methylindol-3-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1-methylindol-3-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1-methylindol-3-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(1-methyl-3-indolyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-methylindol-3-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(1-methylindol-3-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)C

InChI

InChI=1S/C18H23N3O3S/c1-3-24-18(23)21-10-8-20(9-11-21)17(22)13-25-16-12-19(2)15-7-5-4-6-14(15)16/h4-7,12H,3,8-11,13H2,1-2H3