(Z)-ethoxy-[1-ethoxycarbonyl-5-(phenylmethyl)thieno[3,4-c]pyrrol-5-ium-3-ylidene]methanolate

Systemtic Name: (Z)-ethoxy-[1-ethoxycarbonyl-5-(phenylmethyl)thieno[3,4-c]pyrrol-5-ium-3-ylidene]methanolate Openeye Name: (Z)-(5-benzyl-1-ethoxycarbonyl-thieno[3,4-c]pyrrol-5-ium-3-ylidene)-ethoxy-methanolate CAS Name: (Z)-ethoxy-[1-ethoxycarbonyl-5-(phenylmethyl)-3-thieno[3,4-c]pyrrol-5-iumylidene]methanolate IUPAC Name: (Z)-(5-benzyl-1-ethoxycarbonylthieno[3,4-c]pyrrol-5-ium-3-ylidene)-ethoxymethanolate Traditional Name: (Z)-(5-benzyl-1-carbethoxy-thieno[3,4-c]pyrrol-5-ium-3-ylidene)-ethoxy-methanolate Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=[N+](C=C2C(=C([O-])OCC)S1)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C2C=[N+](C=C2/C(=C(\[O-])/OCC)/S1)CC3=CC=CC=C3

InChI

InChI=1S/C19H19NO4S/c1-3-23-18(21)16-14-11-20(10-13-8-6-5-7-9-13)12-15(14)17(25-16)19(22)24-4-2/h5-9,11-12H,3-4,10H2,1-2H3