[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]sulfanyl 5-chloranyl-3-methanoyl-indole-1-carboxylate

Systemtic Name: [3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]sulfanyl 5-chloranyl-3-methanoyl-indole-1-carboxylate Openeye Name: (3-tert-butoxy-3-oxo-propyl)sulfanyl 5-chloro-3-formyl-indole-1-carboxylate CAS Name: 5-chloro-3-formyl-1-indolecarboxylic acid [[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]thio] ester IUPAC Name: [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfanyl 5-chloro-3-formylindole-1-carboxylate Traditional Name: 5-chloro-3-formyl-indole-1-carboxylic acid [(3-tert-butoxy-3-keto-propyl)thio] ester Formula: C17H18ClNO5S MolecularWeight: 383.84652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCSOC(=O)N1C=C(C2=C1C=CC(=C2)Cl)C=O

Isomeric SMILES

CC(C)(C)OC(=O)CCSOC(=O)N1C=C(C2=C1C=CC(=C2)Cl)C=O

InChI

InChI=1S/C17H18ClNO5S/c1-17(2,3)23-15(21)6-7-25-24-16(22)19-9-11(10-20)13-8-12(18)4-5-14(13)19/h4-5,8-10H,6-7H2,1-3H3