methyl 6-[[4-azanyl-3-(1,3-benzothiazol-2-yl)-5-(phenylcarbonyl)thiophen-2-yl]amino]hexanoate

Systemtic Name: methyl 6-[[4-azanyl-3-(1,3-benzothiazol-2-yl)-5-(phenylcarbonyl)thiophen-2-yl]amino]hexanoate Openeye Name: methyl 6-[[4-amino-3-(1,3-benzothiazol-2-yl)-5-benzoyl-2-thienyl]amino]hexanoate CAS Name: 6-[[4-amino-3-(1,3-benzothiazol-2-yl)-5-benzoyl-2-thiophenyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-amino-3-(1,3-benzothiazol-2-yl)-5-benzoylthiophen-2-yl]amino]hexanoate Traditional Name: 6-[[4-amino-3-(1,3-benzothiazol-2-yl)-5-benzoyl-2-thienyl]amino]hexanoic acid methyl ester Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC1=C(C(=C(S1)C(=O)C2=CC=CC=C2)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)CCCCCNC1=C(C(=C(S1)C(=O)C2=CC=CC=C2)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H25N3O3S2/c1-31-19(29)14-6-3-9-15-27-24-20(25-28-17-12-7-8-13-18(17)32-25)21(26)23(33-24)22(30)16-10-4-2-5-11-16/h2,4-5,7-8,10-13,27H,3,6,9,14-15,26H2,1H3