(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H19N5O3S/c1-2-3-9-23-16(20-21-22-23)12-26-18(25)13-6-4-7-14(11-13)19-17(24)15-8-5-10-27-15/h4-8,10-11H,2-3,9,12H2,1H3,(H,19,24)