ethyl 1-(2-diethylaminoethyl)-5-methoxy-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 1-(2-diethylaminoethyl)-5-methoxy-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-(2-diethylaminoethyl)-5-methoxy-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 1-(2-diethylaminoethyl)-5-methoxy-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-diethylaminoethyl)-5-methoxy-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 1-(2-diethylaminoethyl)-5-methoxy-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=C(C=C(C=C2)OC)C(=C1CSC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN(CC)CCN1C2=C(C=C(C=C2)OC)C(=C1CSC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H32N2O3S/c1-5-26(6-2)15-16-27-22-14-13-19(29-4)17-21(22)24(25(28)30-7-3)23(27)18-31-20-11-9-8-10-12-20/h8-14,17H,5-7,15-16,18H2,1-4H3