ethyl 2-acetamido-3-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-3-oxidanyl-propanoate

Systemtic Name: ethyl 2-acetamido-3-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-3-oxidanyl-propanoate Openeye Name: ethyl 2-acetamido-3-[5-[(E)-2-(benzothiophen-3-yl)vinyl]-2-thienyl]-3-hydroxy-propanoate CAS Name: 2-acetamido-3-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]-2-thiophenyl]-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]-3-hydroxypropanoate Traditional Name: 2-acetamido-3-[5-[(E)-2-(benzothiophen-3-yl)vinyl]-2-thienyl]-3-hydroxy-propionic acid ethyl ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(S1)C=CC2=CSC3=CC=CC=C32)O)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(S1)/C=C/C2=CSC3=CC=CC=C32)O)NC(=O)C

InChI

InChI=1S/C21H21NO4S2/c1-3-26-21(25)19(22-13(2)23)20(24)18-11-10-15(28-18)9-8-14-12-27-17-7-5-4-6-16(14)17/h4-12,19-20,24H,3H2,1-2H3,(H,22,23)/b9-8+