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2-(6-benzamido-1H-indol-3-yl)-2-thiomorpholin-4-yl-ethanoic acid

2-(6-benzamido-1H-indol-3-yl)-2-thiomorpholin-4-yl-ethanoic acid

Systemtic Name:2-(6-benzamido-1H-indol-3-yl)-2-thiomorpholin-4-yl-ethanoic acid
Openeye Name:2-(6-benzamido-1H-indol-3-yl)-2-thiomorpholino-acetic acid
CAS Name:2-(6-benzamido-1H-indol-3-yl)-2-thiomorpholin-4-ylacetic acid
IUPAC Name:2-(6-benzamido-1H-indol-3-yl)-2-thiomorpholin-4-ylacetic acid
Traditional Name:2-(6-benzamido-1H-indol-3-yl)-2-thiomorpholino-acetic acid
Formula: C21H21N3O3S
MolecularWeight: 395.47474
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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(C2=CNC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)O


Isomeric SMILES

C1CSCCN1C(C2=CNC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)O


InChI

InChI=1S/C21H21N3O3S/c25-20(14-4-2-1-3-5-14)23-15-6-7-16-17(13-22-18(16)12-15)19(21(26)27)24-8-10-28-11-9-24/h1-7,12-13,19,22H,8-11H2,(H,23,25)(H,26,27)


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