O-methyl 4-azanyl-2-methyl-3-oxidanylidene-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]butanethioate

Systemtic Name: O-methyl 4-azanyl-2-methyl-3-oxidanylidene-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]butanethioate Openeye Name: O-methyl 4-amino-2-[(5-benzyloxy-1H-indol-3-yl)methyl]-2-methyl-3-oxo-butanethioate CAS Name: 4-amino-2-methyl-3-oxo-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]butanethioic acid O-methyl ester IUPAC Name: O-methyl 4-amino-2-methyl-3-oxo-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]butanethioate Traditional Name: 4-amino-2-[(5-benzoxy-1H-indol-3-yl)methyl]-3-keto-2-methyl-butanethioic acid O-methyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)(C(=O)CN)C(=S)OC

Isomeric SMILES

CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)(C(=O)CN)C(=S)OC

InChI

InChI=1S/C22H24N2O3S/c1-22(20(25)12-23,21(28)26-2)11-16-13-24-19-9-8-17(10-18(16)19)27-14-15-6-4-3-5-7-15/h3-10,13,24H,11-12,14,23H2,1-2H3