(E)-4-[[3-methoxycarbonyl-5-[(1R)-1-phenylethyl]thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[3-methoxycarbonyl-5-[(1R)-1-phenylethyl]thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[3-methoxycarbonyl-5-[(1R)-1-phenylethyl]-2-thienyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[3-methoxycarbonyl-5-[(1R)-1-phenylethyl]-2-thiophenyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[3-methoxycarbonyl-5-[(1R)-1-phenylethyl]thiophen-2-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[3-carbomethoxy-5-[(1R)-1-phenylethyl]-2-thienyl]amino]-4-keto-but-2-enoic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC(=C(S2)NC(=O)C=CC(=O)O)C(=O)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)C2=CC(=C(S2)NC(=O)/C=C/C(=O)O)C(=O)OC

InChI

InChI=1S/C18H17NO5S/c1-11(12-6-4-3-5-7-12)14-10-13(18(23)24-2)17(25-14)19-15(20)8-9-16(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b9-8+/t11-/m1/s1