sodium (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)but-3-enoate

Systemtic Name: sodium (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)but-3-enoate Openeye Name: sodium (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)but-3-enoate CAS Name: sodium (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-3-butenoate IUPAC Name: sodium (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)but-3-enoate Traditional Name: sodium (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)but-3-enoate Formula: C17H11ClNNaO2S MolecularWeight: 351.78251

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)Cl)CC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C\C3=CC=C(C=C3)Cl)/CC(=O)[O-].[Na+]

InChI

InChI=1S/C17H12ClNO2S.Na/c18-13-7-5-11(6-8-13)9-12(10-16(20)21)17-19-14-3-1-2-4-15(14)22-17;/h1-9H,10H2,(H,20,21);/q;+1/p-1/b12-9-;