2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-bromophenyl)prop-2-enoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-bromophenyl)prop-2-enoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-bromophenyl)prop-2-enoic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-bromophenyl)-2-propenoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-bromophenyl)prop-2-enoic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-bromophenyl)acrylic acid Formula: C16H10BrNO2S2 MolecularWeight: 392.2901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C16H10BrNO2S2/c17-11-7-5-10(6-8-11)9-14(15(19)20)22-16-18-12-3-1-2-4-13(12)21-16/h1-9H,(H,19,20)