S-ethyl 3,3-dimethyl-2-oxidanylidene-5-propanoyl-indole-1-carbothioate

Systemtic Name: S-ethyl 3,3-dimethyl-2-oxidanylidene-5-propanoyl-indole-1-carbothioate Openeye Name: S-ethyl 3,3-dimethyl-2-oxo-5-propanoyl-indoline-1-carbothioate CAS Name: 3,3-dimethyl-2-oxo-5-(1-oxopropyl)-1-indolecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 3,3-dimethyl-2-oxo-5-propanoylindole-1-carbothioate Traditional Name: 2-keto-3,3-dimethyl-5-propionyl-indoline-1-carbothioic acid S-ethyl ester Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)N(C(=O)C2(C)C)C(=O)SCC

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)N(C(=O)C2(C)C)C(=O)SCC

InChI

InChI=1S/C16H19NO3S/c1-5-13(18)10-7-8-12-11(9-10)16(3,4)14(19)17(12)15(20)21-6-2/h7-9H,5-6H2,1-4H3