ethyl 2-[(2-acetyloxyphenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-acetyloxyphenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-acetoxyphenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[(2-acetyloxyphenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-acetyloxyphenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-acetoxybenzyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NCC3=CC=CC=C3OC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NCC3=CC=CC=C3OC(=O)C

InChI

InChI=1S/C21H25NO4S/c1-3-25-21(24)19-16-10-5-4-6-12-18(16)27-20(19)22-13-15-9-7-8-11-17(15)26-14(2)23/h7-9,11,22H,3-6,10,12-13H2,1-2H3