methyl 4-[[[5-(1,3-benzothiazol-2-yl)furan-2-yl]carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[5-(1,3-benzothiazol-2-yl)furan-2-yl]carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[[5-(1,3-benzothiazol-2-yl)-2-furanyl]-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[5-(1,3-benzothiazol-2-yl)-2-furoyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18N2O4S/c1-24(13-14-7-9-15(10-8-14)22(26)27-2)21(25)18-12-11-17(28-18)20-23-16-5-3-4-6-19(16)29-20/h3-12H,13H2,1-2H3