(4-oxidanylidene-4-thiophen-2-yl-butyl) (Z)-2-(5-methyl-1,2,3,4-tetrazol-1-yl)-3-phenyl-prop-2-enoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) (Z)-2-(5-methyl-1,2,3,4-tetrazol-1-yl)-3-phenyl-prop-2-enoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] (Z)-2-(5-methyltetrazol-1-yl)-3-phenyl-prop-2-enoate CAS Name: (Z)-2-(5-methyl-1-tetrazolyl)-3-phenyl-2-propenoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate Traditional Name: (Z)-2-(5-methyltetrazol-1-yl)-3-phenyl-acrylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=NN1C(=CC2=CC=CC=C2)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=NN=NN1/C(=C\C2=CC=CC=C2)/C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C19H18N4O3S/c1-14-20-21-22-23(14)16(13-15-7-3-2-4-8-15)19(25)26-11-5-9-17(24)18-10-6-12-27-18/h2-4,6-8,10,12-13H,5,9,11H2,1H3/b16-13-