ethyl benzoate; N-[(3-phenylmethoxythiophen-2-yl)methyl]ethanamine

Systemtic Name: ethyl benzoate; N-[(3-phenylmethoxythiophen-2-yl)methyl]ethanamine Openeye Name: N-[(3-benzyloxy-2-thienyl)methyl]ethanamine; ethyl benzoate CAS Name: benzoic acid ethyl ester; N-[(3-phenylmethoxy-2-thiophenyl)methyl]ethanamine IUPAC Name: ethyl benzoate; N-[(3-phenylmethoxythiophen-2-yl)methyl]ethanamine Traditional Name: benzoic acid ethyl ester; (3-benzoxy-2-thienyl)methyl-ethyl-amine Formula: C23H27NO3S MolecularWeight: 397.53038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=CS1)OCC2=CC=CC=C2.CCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CCNCC1=C(C=CS1)OCC2=CC=CC=C2.CCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H17NOS.C9H10O2/c1-2-15-10-14-13(8-9-17-14)16-11-12-6-4-3-5-7-12;1-2-11-9(10)8-6-4-3-5-7-8/h3-9,15H,2,10-11H2,1H3;3-7H,2H2,1H3