1,3-benzothiazol-2-ylmethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N2O3S2/c1-11(22)20-18-17(12-6-2-4-8-14(12)26-18)19(23)24-10-16-21-13-7-3-5-9-15(13)25-16/h3,5,7,9H,2,4,6,8,10H2,1H3,(H,20,22)