(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]acetate CAS Name: 2-(5-oxo-4-thiophen-2-yl-1-tetrazolyl)acetic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetate Traditional Name: 2-[5-keto-4-(2-thienyl)tetrazol-1-yl]acetic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C17H17ClN4O3S MolecularWeight: 392.85988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)CN2C(=O)N(N=N2)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)CN2C(=O)N(N=N2)C3=CC=CS3

InChI

InChI=1S/C17H17ClN4O3S/c1-10(2)12-8-13(18)11(3)7-14(12)25-16(23)9-21-17(24)22(20-19-21)15-5-4-6-26-15/h4-8,10H,9H2,1-3H3