tert-butyl 3-[(methoxycarbothioylamino)methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(methoxycarbothioylamino)methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(methoxycarbothioylamino)methyl]indole-1-carboxylate CAS Name: 3-[[[methoxy(sulfanylidene)methyl]amino]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(methoxycarbothioylamino)methyl]indole-1-carboxylate Traditional Name: 3-[(methoxycarbothioylamino)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CNC(=S)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CNC(=S)OC

InChI

InChI=1S/C16H20N2O3S/c1-16(2,3)21-15(19)18-10-11(9-17-14(22)20-4)12-7-5-6-8-13(12)18/h5-8,10H,9H2,1-4H3,(H,17,22)