(phenylmethyl) 2-aminocarbonyl-2,3,3a,7a-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (phenylmethyl) 2-aminocarbonyl-2,3,3a,7a-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: benzyl 2-carbamoyl-2,3,3a,7a-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-carbamoyl-2,3,3a,7a-tetrahydro-1-benzothiophene-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-carbamoyl-2,3,3a,7a-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-carbamoyl-2,3,3a,7a-tetrahydrobenzothiophene-3-carboxylic acid benzyl ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2C3C=CC=CC3SC2C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2C3C=CC=CC3SC2C(=O)N

InChI

InChI=1S/C17H17NO3S/c18-16(19)15-14(12-8-4-5-9-13(12)22-15)17(20)21-10-11-6-2-1-3-7-11/h1-9,12-15H,10H2,(H2,18,19)