ethyl 2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]-4-cyclopropyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]-4-cyclopropyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]-4-cyclopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxopropyl]amino]-4-cyclopropyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]-4-cyclopropylthiophene-3-carboxylate Traditional Name: 2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]-4-cyclopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C(C)N(C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C(C)N(C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O3S2/c1-4-28-22(27)19-15(14-9-10-14)12-29-21(19)24-20(26)13(2)25(3)11-18-23-16-7-5-6-8-17(16)30-18/h5-8,12-14H,4,9-11H2,1-3H3,(H,24,26)