methyl 3-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-amino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)CC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)CC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C18H19N3O3S2/c1-11(17-20-12-6-4-5-7-14(12)26-17)21(2)10-15(22)19-13-8-9-25-16(13)18(23)24-3/h4-9,11H,10H2,1-3H3,(H,19,22)