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

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]acetate CAS Name: 2-(5-oxo-4-thiophen-2-yl-1-tetrazolyl)acetic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetate Traditional Name: 2-[5-keto-4-(2-thienyl)tetrazol-1-yl]acetic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C16H11ClN4O3S2 MolecularWeight: 406.86654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)COC(=O)CN3C(=O)N(N=N3)C4=CC=CS4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)COC(=O)CN3C(=O)N(N=N3)C4=CC=CS4)Cl

InChI

InChI=1S/C16H11ClN4O3S2/c17-15-10-4-1-2-5-11(10)26-12(15)9-24-14(22)8-20-16(23)21(19-18-20)13-6-3-7-25-13/h1-7H,8-9H2