ethyl 5-methoxy-3-[[(2S)-2-thiomorpholin-4-ylpropanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-3-[[(2S)-2-thiomorpholin-4-ylpropanoyl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-methoxy-3-[[(2S)-2-thiomorpholinopropanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[(2S)-1-oxo-2-thiomorpholin-4-ylpropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-[[(2S)-2-thiomorpholin-4-ylpropanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-methoxy-3-[[(2S)-2-thiomorpholinopropanoyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C(C)N3CCSCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)[C@H](C)N3CCSCC3

InChI

InChI=1S/C19H25N3O4S/c1-4-26-19(24)17-16(14-11-13(25-3)5-6-15(14)20-17)21-18(23)12(2)22-7-9-27-10-8-22/h5-6,11-12,20H,4,7-10H2,1-3H3,(H,21,23)/t12-/m0/s1