(3-azanylidene-2,2-dimethyl-3-thiophen-2-yl-propyl) 4-chloranylbenzoate

Systemtic Name: (3-azanylidene-2,2-dimethyl-3-thiophen-2-yl-propyl) 4-chloranylbenzoate Openeye Name: [3-imino-2,2-dimethyl-3-(2-thienyl)propyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (3-imino-2,2-dimethyl-3-thiophen-2-ylpropyl) ester IUPAC Name: (3-imino-2,2-dimethyl-3-thiophen-2-ylpropyl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-imino-2,2-dimethyl-3-(2-thienyl)propyl] ester Formula: C16H16ClNO2S MolecularWeight: 321.82174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)C1=CC=C(C=C1)Cl)C(=N)C2=CC=CS2

Isomeric SMILES

CC(C)(COC(=O)C1=CC=C(C=C1)Cl)C(=N)C2=CC=CS2

InChI

InChI=1S/C16H16ClNO2S/c1-16(2,14(18)13-4-3-9-21-13)10-20-15(19)11-5-7-12(17)8-6-11/h3-9,18H,10H2,1-2H3