3-azanyl-5-phenyl-2-sulfonyl-pent-4-ynoic acid; 2-(4-methoxyphenyl)thiophene

Systemtic Name: 3-azanyl-5-phenyl-2-sulfonyl-pent-4-ynoic acid; 2-(4-methoxyphenyl)thiophene Openeye Name: 3-amino-5-phenyl-2-sulfonyl-pent-4-ynoic acid; 2-(4-methoxyphenyl)thiophene CAS Name: 3-amino-5-phenyl-2-sulfonyl-4-pentynoic acid; 2-(4-methoxyphenyl)thiophene IUPAC Name: 3-amino-5-phenyl-2-sulfonylpent-4-ynoic acid; 2-(4-methoxyphenyl)thiophene Traditional Name: 3-amino-5-phenyl-2-sulfonyl-pent-4-ynoic acid; 2-(4-methoxyphenyl)thiophene Formula: C22H19NO5S2 MolecularWeight: 441.51996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=CS2.C1=CC=C(C=C1)C#CC(C(=S(=O)=O)C(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=CS2.C1=CC=C(C=C1)C#CC(C(=S(=O)=O)C(=O)O)N

InChI

InChI=1S/C11H9NO4S.C11H10OS/c12-9(10(11(13)14)17(15)16)7-6-8-4-2-1-3-5-8;1-12-10-6-4-9(5-7-10)11-3-2-8-13-11/h1-5,9H,12H2,(H,13,14);2-8H,1H3