2-[[6-[(2-acetamido-4-methyl-pent-4-enoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[(2-acetamido-4-methyl-pent-4-enoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(2-acetamido-4-methyl-pent-4-enoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[(2-acetamido-4-methyl-1-oxopent-4-enyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(2-acetamido-4-methylpent-4-enoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(2-acetamido-4-methyl-pent-4-enoyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCOC(=O)C)NC(=O)C

Isomeric SMILES

CC(=C)CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCOC(=O)C)NC(=O)C

InChI

InChI=1S/C19H23N3O4S2/c1-11(2)9-16(20-12(3)23)18(25)21-14-5-6-15-17(10-14)28-19(22-15)27-8-7-26-13(4)24/h5-6,10,16H,1,7-9H2,2-4H3,(H,20,23)(H,21,25)