S-[3-(2-aminocarbonyl-3,3-dimethyl-2H-indol-1-yl)-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-(2-aminocarbonyl-3,3-dimethyl-2H-indol-1-yl)-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-(2-carbamoyl-3,3-dimethyl-indolin-1-yl)-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-(2-carbamoyl-3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl] ester IUPAC Name: S-[3-(2-carbamoyl-3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-(2-carbamoyl-3,3-dimethyl-indolin-1-yl)-3-keto-propyl] ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(C(C2=CC=CC=C21)(C)C)C(=O)N

Isomeric SMILES

CC(=O)SCCC(=O)N1C(C(C2=CC=CC=C21)(C)C)C(=O)N

InChI

InChI=1S/C16H20N2O3S/c1-10(19)22-9-8-13(20)18-12-7-5-4-6-11(12)16(2,3)14(18)15(17)21/h4-7,14H,8-9H2,1-3H3,(H2,17,21)