[4-[(2-ethoxycarbonyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-3-yl)carbamoyl]phenyl]sulfonyl-phenyl-azanide

Systemtic Name: [4-[(2-ethoxycarbonyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-3-yl)carbamoyl]phenyl]sulfonyl-phenyl-azanide Openeye Name: [4-[(2-ethoxycarbonyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-3-yl)carbamoyl]phenyl]sulfonyl-phenyl-azanide CAS Name: [4-[[(2-ethoxycarbonyl-4,6-dimethyl-3-thieno[2,3-b]pyridin-7-iumyl)amino]-oxomethyl]phenyl]sulfonyl-phenylazanide IUPAC Name: [4-[(2-ethoxycarbonyl-4,6-dimethylthieno[2,3-b]pyridin-7-ium-3-yl)carbamoyl]phenyl]sulfonyl-phenylazanide Traditional Name: [4-[(2-carbethoxy-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-3-yl)carbamoyl]phenyl]sulfonyl-phenyl-azanide Formula: C25H23N3O5S2 MolecularWeight: 509.59722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)[NH+]=C(C=C2C)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)[N-]C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)[NH+]=C(C=C2C)C)NC(=O)C3=CC=C(C=C3)S(=O)(=O)[N-]C4=CC=CC=C4

InChI

InChI=1S/C25H22N3O5S2/c1-4-33-25(30)22-21(20-15(2)14-16(3)26-24(20)34-22)27-23(29)17-10-12-19(13-11-17)35(31,32)28-18-8-6-5-7-9-18/h5-14H,4H2,1-3H3,(H,27,29,30)/q-1/p+1