methyl 5-[(phenylmethyl)carbamoylamino]-3-propoxy-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[(phenylmethyl)carbamoylamino]-3-propoxy-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-(benzylcarbamoylamino)-3-propoxy-benzothiophene-2-carboxylate CAS Name: 5-[[oxo-[(phenylmethyl)amino]methyl]amino]-3-propoxy-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-(benzylcarbamoylamino)-3-propoxy-1-benzothiophene-2-carboxylate Traditional Name: 5-(benzylcarbamoylamino)-3-propoxy-benzothiophene-2-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(SC2=C1C=C(C=C2)NC(=O)NCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCOC1=C(SC2=C1C=C(C=C2)NC(=O)NCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-3-11-27-18-16-12-15(9-10-17(16)28-19(18)20(24)26-2)23-21(25)22-13-14-7-5-4-6-8-14/h4-10,12H,3,11,13H2,1-2H3,(H2,22,23,25)