(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enoate

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(1,2,5-trimethyl-3-pyrrolyl)-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(1,2,5-trimethylpyrrol-3-yl)acrylate Formula: C17H15N2O3S- MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C=C(C(=O)[O-])SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=C(N1C)C)/C=C(\C(=O)[O-])/SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H16N2O3S/c1-10-8-12(11(2)19(10)3)9-15(16(20)21)23-17-18-13-6-4-5-7-14(13)22-17/h4-9H,1-3H3,(H,20,21)/p-1/b15-9+