5-[3-(phenylmethoxycarbonylamino)prop-1-ynyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-(phenylmethoxycarbonylamino)prop-1-ynyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-(benzyloxycarbonylamino)prop-1-ynyl]thiophene-2-carboxylic acid CAS Name: 5-[3-(phenylmethoxycarbonylamino)prop-1-ynyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-(phenylmethoxycarbonylamino)prop-1-ynyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-(benzyloxycarbonylamino)prop-1-ynyl]-2-thenoic acid Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC#CC2=CC=C(S2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC#CC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C16H13NO4S/c18-15(19)14-9-8-13(22-14)7-4-10-17-16(20)21-11-12-5-2-1-3-6-12/h1-3,5-6,8-9H,10-11H2,(H,17,20)(H,18,19)