(4-oxidanylidene-4-thiophen-2-yl-butyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H15NO3S2 MolecularWeight: 357.4466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C=CC(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C=C/C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H15NO3S2/c20-14(16-8-4-12-23-16)6-3-11-22-18(21)10-9-17-19-13-5-1-2-7-15(13)24-17/h1-2,4-5,7-10,12H,3,6,11H2/b10-9+