2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-thiomorpholin-4-yl-ethanoic acid

Systemtic Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-thiomorpholin-4-yl-ethanoic acid Openeye Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-thiomorpholino-acetic acid CAS Name: 2-[5-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]-2-thiomorpholin-4-ylacetic acid IUPAC Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-thiomorpholin-4-ylacetic acid Traditional Name: 2-[5-(isobutyrylamino)-1H-indol-3-yl]-2-thiomorpholino-acetic acid Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCSCC3

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCSCC3

InChI

InChI=1S/C18H23N3O3S/c1-11(2)17(22)20-12-3-4-15-13(9-12)14(10-19-15)16(18(23)24)21-5-7-25-8-6-21/h3-4,9-11,16,19H,5-8H2,1-2H3,(H,20,22)(H,23,24)