ethyl 5-methoxy-1,2-dimethyl-4-(2-thiomorpholin-4-ium-4-ylethanoylamino)indole-3-carboxylate

Systemtic Name: ethyl 5-methoxy-1,2-dimethyl-4-(2-thiomorpholin-4-ium-4-ylethanoylamino)indole-3-carboxylate Openeye Name: ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]indole-3-carboxylate CAS Name: 5-methoxy-1,2-dimethyl-4-[[1-oxo-2-(4-thiomorpholin-4-iumyl)ethyl]amino]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]indole-3-carboxylate Traditional Name: 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]indole-3-carboxylic acid ethyl ester Formula: C20H28N3O4S+ MolecularWeight: 406.51902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCSCC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCSCC3)C)C

InChI

InChI=1S/C20H27N3O4S/c1-5-27-20(25)17-13(2)22(3)14-6-7-15(26-4)19(18(14)17)21-16(24)12-23-8-10-28-11-9-23/h6-7H,5,8-12H2,1-4H3,(H,21,24)/p+1