3-[2-(prop-2-enoxycarbonylamino)-1H-indol-3-yl]propanethioic S-acid

Systemtic Name: 3-[2-(prop-2-enoxycarbonylamino)-1H-indol-3-yl]propanethioic S-acid Openeye Name: 3-[2-(allyloxycarbonylamino)-1H-indol-3-yl]propanethioic S-acid CAS Name: 3-[2-[[oxo(prop-2-enoxy)methyl]amino]-1H-indol-3-yl]propanethioic S-acid IUPAC Name: 3-[2-(prop-2-enoxycarbonylamino)-1H-indol-3-yl]propanethioic S-acid Traditional Name: 3-[2-(allyloxycarbonylamino)-1H-indol-3-yl]thiopropionic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NC1=C(C2=CC=CC=C2N1)CCC(=O)S

Isomeric SMILES

C=CCOC(=O)NC1=C(C2=CC=CC=C2N1)CCC(=O)S

InChI

InChI=1S/C15H16N2O3S/c1-2-9-20-15(19)17-14-11(7-8-13(18)21)10-5-3-4-6-12(10)16-14/h2-6,16H,1,7-9H2,(H,17,19)(H,18,21)