2-[[6-[3-(4-acetamidophenyl)prop-2-enoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[3-(4-acetamidophenyl)prop-2-enoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[3-(4-acetamidophenyl)prop-2-enoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[3-(4-acetamidophenyl)-1-oxoprop-2-enyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[3-(4-acetamidophenyl)prop-2-enoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[[3-(4-acetamidophenyl)acryloyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCOC(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCOC(=O)C

InChI

InChI=1S/C22H21N3O4S2/c1-14(26)23-17-6-3-16(4-7-17)5-10-21(28)24-18-8-9-19-20(13-18)31-22(25-19)30-12-11-29-15(2)27/h3-10,13H,11-12H2,1-2H3,(H,23,26)(H,24,28)