(8-ethoxycarbonyl-5-methoxycarbonyl-7-phenyl-thieno[3,2-e][1,4]thiazocin-7-ium-6-ylidene)-methoxy-methanolate

Systemtic Name: (8-ethoxycarbonyl-5-methoxycarbonyl-7-phenyl-thieno[3,2-e][1,4]thiazocin-7-ium-6-ylidene)-methoxy-methanolate Openeye Name: (8-ethoxycarbonyl-5-methoxycarbonyl-7-phenyl-thieno[3,2-e][1,4]thiazocin-7-ium-6-ylidene)-methoxy-methanolate CAS Name: (8-ethoxycarbonyl-5-methoxycarbonyl-7-phenyl-6-thieno[3,2-e][1,4]thiazocin-7-iumylidene)-methoxymethanolate IUPAC Name: (8-ethoxycarbonyl-5-methoxycarbonyl-7-phenylthieno[3,2-e][1,4]thiazocin-7-ium-6-ylidene)-methoxymethanolate Traditional Name: (8-carbethoxy-5-carbomethoxy-7-phenyl-thieno[3,2-e][1,4]thiazocin-7-ium-6-ylidene)-methoxy-methanolate Formula: C21H19NO6S2 MolecularWeight: 445.50866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=CS2)N=C(C(=C([O-])OC)[S+]1C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=CS2)N=C(C(=C([O-])OC)[S+]1C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H19NO6S2/c1-4-28-19(23)16-12-15-14(10-11-29-15)22-17(20(24)26-2)18(21(25)27-3)30(16)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3