15-chloranyl-16-methoxy-18-oxidanyl-7,13-bis(oxidanylidene)-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid

Systemtic Name: 15-chloranyl-16-methoxy-18-oxidanyl-7,13-bis(oxidanylidene)-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid Openeye Name: 15-chloro-18-hydroxy-16-methoxy-7,13-dioxo-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid CAS Name: 15-chloro-18-hydroxy-16-methoxy-7,13-dioxo-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid IUPAC Name: 15-chloro-18-hydroxy-16-methoxy-7,13-dioxo-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid Traditional Name: 15-chloro-18-hydroxy-7,13-diketo-16-methoxy-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(14),15,17-triene-5-carboxylic acid Formula: C17H20ClNO7S MolecularWeight: 417.8612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CSCC(NC(=O)CCCCOC2=O)C(=O)O)C(=C1)O)Cl

Isomeric SMILES

COC1=C(C2=C(CSCC(NC(=O)CCCCOC2=O)C(=O)O)C(=C1)O)Cl

InChI

InChI=1S/C17H20ClNO7S/c1-25-12-6-11(20)9-7-27-8-10(16(22)23)19-13(21)4-2-3-5-26-17(24)14(9)15(12)18/h6,10,20H,2-5,7-8H2,1H3,(H,19,21)(H,22,23)