tert-butyl 3-carbonisothiocyanatidoyl-2-chloranyl-indole-1-carboxylate

Systemtic Name: tert-butyl 3-carbonisothiocyanatidoyl-2-chloranyl-indole-1-carboxylate Openeye Name: tert-butyl 3-carbonisothiocyanatidoyl-2-chloro-indole-1-carboxylate CAS Name: 3-carbonisothiocyanatidoyl-2-chloro-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-carbonisothiocyanatidoyl-2-chloroindole-1-carboxylate Traditional Name: 3-carbonisothiocyanatidoyl-2-chloro-indole-1-carboxylic acid tert-butyl ester Formula: C15H13ClN2O3S MolecularWeight: 336.79332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Cl)C(=O)N=C=S

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Cl)C(=O)N=C=S

InChI

InChI=1S/C15H13ClN2O3S/c1-15(2,3)21-14(20)18-10-7-5-4-6-9(10)11(12(18)16)13(19)17-8-22/h4-7H,1-3H3