N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-oxidanyl-phenyl]-3-chloranyl-4-ethoxy-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-oxidanyl-phenyl]-3-chloranyl-4-ethoxy-benzamide Openeye Name: N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-hydroxy-phenyl]-3-chloro-4-ethoxy-benzamide CAS Name: N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-hydroxyphenyl]-3-chloro-4-ethoxybenzamide IUPAC Name: N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-hydroxyphenyl]-3-chloro-4-ethoxybenzamide Traditional Name: N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-hydroxy-phenyl]-3-chloro-4-ethoxy-benzamide Formula: C22H18ClN2O3S+ MolecularWeight: 425.90792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=CC=CC=C4S3)O)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=CC=CC=C4S3)O)Cl

InChI

InChI=1S/C22H17ClN2O3S/c1-2-28-19-10-7-13(11-16(19)23)21(27)24-14-8-9-15(18(26)12-14)22-25-17-5-3-4-6-20(17)29-22/h3-12,26H,2H2,1H3,(H,24,27)/p+1