2-[[6-(2-acetamidopent-4-ynoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-(2-acetamidopent-4-ynoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-(2-acetamidopent-4-ynoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[(2-acetamido-1-oxopent-4-ynyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-(2-acetamidopent-4-ynoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-(2-acetamidopent-4-ynoylamino)-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S2/c1-4-5-15(19-11(2)22)17(24)20-13-6-7-14-16(10-13)27-18(21-14)26-9-8-25-12(3)23/h1,6-7,10,15H,5,8-9H2,2-3H3,(H,19,22)(H,20,24)